1-[2-[4-(2-phenylethyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride

C26H38Cl2N2O — CID 86599961

IUPAC1-[2-[4-(2-phenylethyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
SMILESCl.Cl.OC1(CC(c2ccc(CCc3ccccc3)cc2)N2CCNCC2)CCCCC1
InChIInChI=1S/C26H36N2O.2ClH/c29-26(15-5-2-6-16-26)21-25(28-19-17-27-18-20-28)24-13-11-23(12-14-24)10-9-22-7-3-1-4-8-22;;/h1,3-4,7-8,11-14,25,27,29H,2,5-6,9-10,15-21H2;2*1H
InChIKeyJDICXXLQGNQJGP-UHFFFAOYSA-N
MW465.51 g/mol
LogP5.35
Rot. Bonds7

About 1-[2-[4-(2-phenylethyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride

1-[2-[4-(2-phenylethyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride (PubChem CID 86599961) has the molecular formula C26H38Cl2N2O and a molecular weight of 465.51 g/mol. Its IUPAC name is 1-[2-[4-(2-phenylethyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride.

Molecular Properties

Compound Name1-[2-[4-(2-phenylethyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
PubChem CID86599961
Molecular FormulaC26H38Cl2N2O
Molecular Weight465.51 g/mol
Exact Mass464.24
IUPAC Name1-[2-[4-(2-phenylethyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
SMILESCl.Cl.OC1(CC(c2ccc(CCc3ccccc3)cc2)N2CCNCC2)CCCCC1
InChIInChI=1S/C26H36N2O.2ClH/c29-26(15-5-2-6-16-26)21-25(28-19-17-27-18-20-28)24-13-11-23(12-14-24)10-9-22-7-3-1-4-8-22;;/h1,3-4,7-8,11-14,25,27,29H,2,5-6,9-10,15-21H2;2*1H
InChIKeyJDICXXLQGNQJGP-UHFFFAOYSA-N
XLogP5.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-(2-phenylethyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
CID 171282898
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride
CID 171181994
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292149
1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172730
1-[(1S)-3-methyl-1-phenylbut-3-enyl]piperazine;dihydrochloride
CID 171282917
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
(2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183535
1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172722
1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182615
(3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189192
(2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183512

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-phenylethyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?
The IUPAC name of 1-[2-[4-(2-phenylethyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride (CID 86599961) is 1-[2-[4-(2-phenylethyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride.
What is the SMILES notation for 1-[2-[4-(2-phenylethyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?
The canonical SMILES for 1-[2-[4-(2-phenylethyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride is Cl.Cl.OC1(CC(c2ccc(CCc3ccccc3)cc2)N2CCNCC2)CCCCC1.
What is the InChIKey of 1-[2-[4-(2-phenylethyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?
The InChIKey is JDICXXLQGNQJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O.2ClH/c29-26(15-5-2-6-16-26)21-25(28-19-17-27-18-20-28)24-13-11-23(12-14-24)10-9-22-7-3-1-4-8-22;;/h1,3-4,7-8,11-14,25,27,29H,2,5-6,9-10,15-21H2;2*1H.
What are the key properties of 1-[2-[4-(2-phenylethyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?
1-[2-[4-(2-phenylethyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride has a molecular weight of 465.51 g/mol, XLogP of 5.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-phenylethyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride is sourced from PubChem (CID 86599961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).