1-[(E)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol

C27H36N2O2 — CID 14209157

IUPAC1-[(E)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol
SMILESCOc1cccc(/C(=C\CN2CCN(Cc3ccccc3)CC2)C2(O)CCCCC2)c1
InChIInChI=1S/C27H36N2O2/c1-31-25-12-8-11-24(21-25)26(27(30)14-6-3-7-15-27)13-16-28-17-19-29(20-18-28)22-23-9-4-2-5-10-23/h2,4-5,8-13,21,30H,3,6-7,14-20,22H2,1H3/b26-13+
InChIKeySXQGVJSBQVUAOY-LGJNPRDNSA-N
MW420.60 g/mol
LogP4.59
Rot. Bonds7

About 1-[(E)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol

1-[(E)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol (PubChem CID 14209157) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 1-[(E)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol
PubChem CID14209157
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC Name1-[(E)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol
SMILESCOc1cccc(/C(=C\CN2CCN(Cc3ccccc3)CC2)C2(O)CCCCC2)c1
InChIInChI=1S/C27H36N2O2/c1-31-25-12-8-11-24(21-25)26(27(30)14-6-3-7-15-27)13-16-28-17-19-29(20-18-28)22-23-9-4-2-5-10-23/h2,4-5,8-13,21,30H,3,6-7,14-20,22H2,1H3/b26-13+
InChIKeySXQGVJSBQVUAOY-LGJNPRDNSA-N
XLogP4.59
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(E)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol;dihydrochloride
CID 70418314
1-[(Z)-3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol
CID 70419015
1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]cyclohexan-1-ol
CID 54124644
1-[1-(4-methoxyphenyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]cyclohexan-1-ol
CID 54458530
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide
CID 110284554
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195
1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
CID 67562153
2-(4-benzylpiperazin-1-yl)-N-[1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 4162502
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
2-[(4-benzylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 783532

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol?
The IUPAC name of 1-[(E)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol (CID 14209157) is 1-[(E)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(E)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol is COc1cccc(/C(=C\CN2CCN(Cc3ccccc3)CC2)C2(O)CCCCC2)c1.
What is the InChIKey of 1-[(E)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol?
The InChIKey is SXQGVJSBQVUAOY-LGJNPRDNSA-N. The full InChI is InChI=1S/C27H36N2O2/c1-31-25-12-8-11-24(21-25)26(27(30)14-6-3-7-15-27)13-16-28-17-19-29(20-18-28)22-23-9-4-2-5-10-23/h2,4-5,8-13,21,30H,3,6-7,14-20,22H2,1H3/b26-13+.
What are the key properties of 1-[(E)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol?
1-[(E)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol has a molecular weight of 420.60 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 14209157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).