4-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-one

C16H21ClN2O — CID 21256597

IUPAC4-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-one
SMILESO=C1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C16H21ClN2O/c17-13-2-1-3-15(12-13)19-10-8-18(9-11-19)14-4-6-16(20)7-5-14/h1-3,12,14H,4-11H2
InChIKeyAAGDMZOOVRTZFW-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.97
Rot. Bonds2

About 4-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-one

4-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-one (PubChem CID 21256597) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-one
PubChem CID21256597
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name4-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-one
SMILESO=C1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C16H21ClN2O/c17-13-2-1-3-15(12-13)19-10-8-18(9-11-19)14-4-6-16(20)7-5-14/h1-3,12,14H,4-11H2
InChIKeyAAGDMZOOVRTZFW-UHFFFAOYSA-N
XLogP2.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-one?
The IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-one (CID 21256597) is 4-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-one?
The canonical SMILES for 4-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-one is O=C1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1.
What is the InChIKey of 4-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-one?
The InChIKey is AAGDMZOOVRTZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c17-13-2-1-3-15(12-13)19-10-8-18(9-11-19)14-4-6-16(20)7-5-14/h1-3,12,14H,4-11H2.
What are the key properties of 4-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-one?
4-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-one has a molecular weight of 292.81 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-one is sourced from PubChem (CID 21256597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).