[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone

C17H23ClN2O — CID 798144

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H23ClN2O/c18-15-7-4-8-16(13-15)19-9-11-20(12-10-19)17(21)14-5-2-1-3-6-14/h4,7-8,13-14H,1-3,5-6,9-12H2
InChIKeyIHNWKHJTBPDQCQ-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.57
Rot. Bonds2

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

[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone (PubChem CID 798144) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
PubChem CID798144
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H23ClN2O/c18-15-7-4-8-16(13-15)19-9-11-20(12-10-19)17(21)14-5-2-1-3-6-14/h4,7-8,13-14H,1-3,5-6,9-12H2
InChIKeyIHNWKHJTBPDQCQ-UHFFFAOYSA-N
XLogP3.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
CID 113005178
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038
[4-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 17419992
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 96588891
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 134059602
1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone
CID 90513796
1-(3-chlorophenyl)-3-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]urea
CID 1056361
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144515
[1-(2-chlorobenzoyl)piperidin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 17223304
[1-(3-chlorophenyl)piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 17153069
[4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 7029150
tert-butyl 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 84557684

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone (CID 798144) is [4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone is O=C(C1CCCCC1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone?
The InChIKey is IHNWKHJTBPDQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c18-15-7-4-8-16(13-15)19-9-11-20(12-10-19)17(21)14-5-2-1-3-6-14/h4,7-8,13-14H,1-3,5-6,9-12H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone?
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone has a molecular weight of 306.84 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 798144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).