1-benzyl-4-(4-benzylpiperazin-1-yl)cyclohexan-1-ol

C24H32N2O — CID 22122106

IUPAC1-benzyl-4-(4-benzylpiperazin-1-yl)cyclohexan-1-ol
SMILESOC1(Cc2ccccc2)CCC(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H32N2O/c27-24(19-21-7-3-1-4-8-21)13-11-23(12-14-24)26-17-15-25(16-18-26)20-22-9-5-2-6-10-22/h1-10,23,27H,11-20H2
InChIKeyVLEDBBXOKNBLKJ-UHFFFAOYSA-N
MW364.53 g/mol
LogP3.72
Rot. Bonds5

About 1-benzyl-4-(4-benzylpiperazin-1-yl)cyclohexan-1-ol

1-benzyl-4-(4-benzylpiperazin-1-yl)cyclohexan-1-ol (PubChem CID 22122106) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-benzyl-4-(4-benzylpiperazin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-benzyl-4-(4-benzylpiperazin-1-yl)cyclohexan-1-ol
PubChem CID22122106
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name1-benzyl-4-(4-benzylpiperazin-1-yl)cyclohexan-1-ol
SMILESOC1(Cc2ccccc2)CCC(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H32N2O/c27-24(19-21-7-3-1-4-8-21)13-11-23(12-14-24)26-17-15-25(16-18-26)20-22-9-5-2-6-10-22/h1-10,23,27H,11-20H2
InChIKeyVLEDBBXOKNBLKJ-UHFFFAOYSA-N
XLogP3.72
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-cyclopropylpiperazine
CID 69195043
4-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)cyclohexan-1-ol
CID 22122113
1-benzyl-4-cyclohexylpiperazine;oxalic acid
CID 126476719
1-benzyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 10592641
4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid
CID 69053980
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846
1-benzyl-4-(4-tert-butylcyclohexyl)piperazine
CID 2846257
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
CID 171913248

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-benzylpiperazin-1-yl)cyclohexan-1-ol?
The IUPAC name of 1-benzyl-4-(4-benzylpiperazin-1-yl)cyclohexan-1-ol (CID 22122106) is 1-benzyl-4-(4-benzylpiperazin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-benzyl-4-(4-benzylpiperazin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 1-benzyl-4-(4-benzylpiperazin-1-yl)cyclohexan-1-ol is OC1(Cc2ccccc2)CCC(N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-benzyl-4-(4-benzylpiperazin-1-yl)cyclohexan-1-ol?
The InChIKey is VLEDBBXOKNBLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c27-24(19-21-7-3-1-4-8-21)13-11-23(12-14-24)26-17-15-25(16-18-26)20-22-9-5-2-6-10-22/h1-10,23,27H,11-20H2.
What are the key properties of 1-benzyl-4-(4-benzylpiperazin-1-yl)cyclohexan-1-ol?
1-benzyl-4-(4-benzylpiperazin-1-yl)cyclohexan-1-ol has a molecular weight of 364.53 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-benzylpiperazin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 22122106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).