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

C23H29FN2O — CID 22122113

IUPAC4-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)cyclohexan-1-ol
SMILESOC1(c2ccc(F)cc2)CCC(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H29FN2O/c24-21-8-6-20(7-9-21)23(27)12-10-22(11-13-23)26-16-14-25(15-17-26)18-19-4-2-1-3-5-19/h1-9,22,27H,10-18H2
InChIKeyYZCULTKJGFALBM-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.77
Rot. Bonds4

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

4-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)cyclohexan-1-ol (PubChem CID 22122113) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)cyclohexan-1-ol
PubChem CID22122113
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name4-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)cyclohexan-1-ol
SMILESOC1(c2ccc(F)cc2)CCC(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H29FN2O/c24-21-8-6-20(7-9-21)23(27)12-10-22(11-13-23)26-16-14-25(15-17-26)18-19-4-2-1-3-5-19/h1-9,22,27H,10-18H2
InChIKeyYZCULTKJGFALBM-UHFFFAOYSA-N
XLogP3.77
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
1-benzyl-4-(4-benzylpiperazin-1-yl)cyclohexan-1-ol
CID 22122106
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-[(4-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine
CID 4677213
1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride
CID 139758416
1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
CID 139966182
1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 1361233
1-cycloheptyl-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 90483560
1-(4-fluorophenyl)-4-(3-methylpyrrolidin-1-yl)cyclohexan-1-ol
CID 20668518
1-[(4-fluorophenyl)methyl]-4-(4-methylcyclohexyl)piperazine;oxalic acid
CID 90483762
4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid
CID 69053980

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)cyclohexan-1-ol?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)cyclohexan-1-ol (CID 22122113) is 4-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)cyclohexan-1-ol?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)cyclohexan-1-ol is OC1(c2ccc(F)cc2)CCC(N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)cyclohexan-1-ol?
The InChIKey is YZCULTKJGFALBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O/c24-21-8-6-20(7-9-21)23(27)12-10-22(11-13-23)26-16-14-25(15-17-26)18-19-4-2-1-3-5-19/h1-9,22,27H,10-18H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)cyclohexan-1-ol?
4-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)cyclohexan-1-ol has a molecular weight of 368.50 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 22122113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).