当前位置: 首页 » 资料 » 化学物质数据库 » NCIOpen2_005319,NSC88254,5083-86-3,94437-03-3, 2-[4-(4-methylphenyl)pi

NCIOpen2_005319,NSC88254,5083-86-3,94437-03-3, 2-[4-(4-methylphenyl)pi

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:2
摘 要:NCIOpen2_005319,NSC88254,5083-86-3,94437-03-3, 2-[4-(4-methylphenyl)piperazin-1-yl]-1-phenylethanol,Canonical SMILES: CC1=CC=C(C=C1)N2CCN(CC2)CC(C3=CC=CC=C3)O,InChI: InChI=1/C19H24N2O/c1-16-7-9-18(10-8-16)21-13-11-20(12-14-21)15-19(22)17-,5-3-2-4-6-1
[Synonyms]
NCIOpen2_005319
NSC88254
5083-86-3
94437-03-3

[Structure]
NCIOpen2_005319,NSC88254,5083-86-3,94437-03-3, 2-[4-(4-methylphenyl)pi

[ Properties Computed from Structure]
Molecular Weight296.40666 [g/mol]
Molecular FormulaC19H24N2O
XLogP3.4
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count4
Exact Mass296.188863
MonoIsotopic Mass296.188863
Topological Polar Surface Area26.7
Heavy Atom Count22
Formal Charge0
Complexity313
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-[4-(4-methylphenyl)piperazin-1-yl]-1-phenylethanol
Canonical SMILES: CC1=CC=C(C=C1)N2CCN(CC2)CC(C3=CC=CC=C3)O
InChI: InChI=1/C19H24N2O/c1-16-7-9-18(10-8-16)21-13-11-20(12-14-21)15-19(22)17-
5-3-2-4-6-17/h2-10,19,22H,11-15H2,1H3

 
本文导航:
  • (1) NCIOpen2_005319,NSC88254,5083-86-3,94437-03-3, 2-[4-(4-methylphenyl)pi
  • 下一篇:鳖甲
  • 上一篇:暂无
 
[ 资料搜索 ]  [ 加入收藏 ]  [ 告诉好友 ]  [ 打印本文 ]  [ 关闭窗口 ]

 

 
推荐图文
推荐资料
热门关注