1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol

C18H27ClN2O — CID 10381502

IUPAC1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESOC1(C(CN2CCNCC2)c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C18H27ClN2O/c19-16-6-4-5-15(13-16)17(14-21-11-9-20-10-12-21)18(22)7-2-1-3-8-18/h4-6,13,17,20,22H,1-3,7-12,14H2
InChIKeyPZQVDLYPNAADGQ-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.02
Rot. Bonds4

About 1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol

1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol (PubChem CID 10381502) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
PubChem CID10381502
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESOC1(C(CN2CCNCC2)c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C18H27ClN2O/c19-16-6-4-5-15(13-16)17(14-21-11-9-20-10-12-21)18(22)7-2-1-3-8-18/h4-6,13,17,20,22H,1-3,7-12,14H2
InChIKeyPZQVDLYPNAADGQ-UHFFFAOYSA-N
XLogP3.02
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol (CID 10381502) is 1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol is OC1(C(CN2CCNCC2)c2cccc(Cl)c2)CCCCC1.
What is the InChIKey of 1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The InChIKey is PZQVDLYPNAADGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O/c19-16-6-4-5-15(13-16)17(14-21-11-9-20-10-12-21)18(22)7-2-1-3-8-18/h4-6,13,17,20,22H,1-3,7-12,14H2.
What are the key properties of 1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol?
1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol has a molecular weight of 322.88 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol is sourced from PubChem (CID 10381502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).