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

C27H38Cl2N2O2 — CID 70418314

IUPAC1-[3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol;dihydrochloride
SMILESCOc1cccc(C(=CCN2CCN(Cc3ccccc3)CC2)C2(O)CCCCC2)c1.Cl.Cl
InChIInChI=1S/C27H36N2O2.2ClH/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;2*1H
InChIKeyHVXOPYMZJQVSBI-UHFFFAOYSA-N
MW493.52 g/mol
LogP5.44
Rot. Bonds7

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

1-[3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol;dihydrochloride (PubChem CID 70418314) has the molecular formula C27H38Cl2N2O2 and a molecular weight of 493.52 g/mol. Its IUPAC name is 1-[3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol;dihydrochloride.

Molecular Properties

Compound Name1-[3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol;dihydrochloride
PubChem CID70418314
Molecular FormulaC27H38Cl2N2O2
Molecular Weight493.52 g/mol
Exact Mass492.23
IUPAC Name1-[3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol;dihydrochloride
SMILESCOc1cccc(C(=CCN2CCN(Cc3ccccc3)CC2)C2(O)CCCCC2)c1.Cl.Cl
InChIInChI=1S/C27H36N2O2.2ClH/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;2*1H
InChIKeyHVXOPYMZJQVSBI-UHFFFAOYSA-N
XLogP5.44
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.52
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[(E)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol
CID 14209157
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-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
CID 67562153
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
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-[3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol;dihydrochloride?
The IUPAC name of 1-[3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol;dihydrochloride (CID 70418314) is 1-[3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol;dihydrochloride.
What is the SMILES notation for 1-[3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol;dihydrochloride?
The canonical SMILES for 1-[3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol;dihydrochloride is COc1cccc(C(=CCN2CCN(Cc3ccccc3)CC2)C2(O)CCCCC2)c1.Cl.Cl.
What is the InChIKey of 1-[3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol;dihydrochloride?
The InChIKey is HVXOPYMZJQVSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2.2ClH/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;2*1H.
What are the key properties of 1-[3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol;dihydrochloride?
1-[3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol;dihydrochloride has a molecular weight of 493.52 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol;dihydrochloride is sourced from PubChem (CID 70418314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).