2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol

C25H27ClN2O — CID 10250805

IUPAC2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN([C@@H](c2ccccc2)c2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C25H27ClN2O/c26-24-12-10-21(11-13-24)20-6-8-23(9-7-20)25(22-4-2-1-3-5-22)28-16-14-27(15-17-28)18-19-29/h1-13,25,29H,14-19H2/t25-/m0/s1
InChIKeyDHUGPKGKAHOMHZ-VWLOTQADSA-N
MW406.96 g/mol
LogP4.71
Rot. Bonds6

About 2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol

2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol (PubChem CID 10250805) has the molecular formula C25H27ClN2O and a molecular weight of 406.96 g/mol. Its IUPAC name is 2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol
PubChem CID10250805
Molecular FormulaC25H27ClN2O
Molecular Weight406.96 g/mol
Exact Mass406.18
IUPAC Name2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN([C@@H](c2ccccc2)c2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C25H27ClN2O/c26-24-12-10-21(11-13-24)20-6-8-23(9-7-20)25(22-4-2-1-3-5-22)28-16-14-27(15-17-28)18-19-29/h1-13,25,29H,14-19H2/t25-/m0/s1
InChIKeyDHUGPKGKAHOMHZ-VWLOTQADSA-N
XLogP4.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.96
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol
CID 19933782
1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine
CID 19922955
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanethiol
CID 123286407
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane
CID 144798702
3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propan-1-amine
CID 174296137
(E)-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]but-2-en-1-ol
CID 66918222
4-[[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethyl]benzene-1,2-diol;dihydrochloride
CID 156599355
[4-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]phenyl]methanol
CID 23381012
(Z)-but-2-enedioic acid;2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]ethanol
CID 21140422
2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide
CID 92573658
1-[(4-chlorophenyl)-phenylmethyl]-4-[(4-methylphenyl)methyl]piperazine;dihydrochloride
CID 171382098
7-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]-1-azabicyclo[2.2.1]hept-4(7)-ene
CID 57116597

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol (CID 10250805) is 2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol is OCCN1CCN([C@@H](c2ccccc2)c2ccc(-c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol?
The InChIKey is DHUGPKGKAHOMHZ-VWLOTQADSA-N. The full InChI is InChI=1S/C25H27ClN2O/c26-24-12-10-21(11-13-24)20-6-8-23(9-7-20)25(22-4-2-1-3-5-22)28-16-14-27(15-17-28)18-19-29/h1-13,25,29H,14-19H2/t25-/m0/s1.
What are the key properties of 2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol?
2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol has a molecular weight of 406.96 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 10250805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).