4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol

C16H23ClN2O — CID 114762371

IUPAC4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
SMILESOC1CCC(N2CCN(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C16H23ClN2O/c17-13-1-3-14(4-2-13)18-9-11-19(12-10-18)15-5-7-16(20)8-6-15/h1-4,15-16,20H,5-12H2
InChIKeyBOGNUICECMMHPZ-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.77
Rot. Bonds2

About 4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol

4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol (PubChem CID 114762371) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
PubChem CID114762371
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
SMILESOC1CCC(N2CCN(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C16H23ClN2O/c17-13-1-3-14(4-2-13)18-9-11-19(12-10-18)15-5-7-16(20)8-6-15/h1-4,15-16,20H,5-12H2
InChIKeyBOGNUICECMMHPZ-UHFFFAOYSA-N
XLogP2.77
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol (CID 114762371) is 4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol is OC1CCC(N2CCN(c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol?
The InChIKey is BOGNUICECMMHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c17-13-1-3-14(4-2-13)18-9-11-19(12-10-18)15-5-7-16(20)8-6-15/h1-4,15-16,20H,5-12H2.
What are the key properties of 4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol?
4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol has a molecular weight of 294.83 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 114762371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).