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

C17H24N2O — CID 114762012

IUPAC4-[4-(3-methylphenyl)piperazin-1-yl]cyclohexan-1-one
SMILESCc1cccc(N2CCN(C3CCC(=O)CC3)CC2)c1
InChIInChI=1S/C17H24N2O/c1-14-3-2-4-16(13-14)19-11-9-18(10-12-19)15-5-7-17(20)8-6-15/h2-4,13,15H,5-12H2,1H3
InChIKeyVJEBTZXCWQIYDJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.63
Rot. Bonds2

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

4-[4-(3-methylphenyl)piperazin-1-yl]cyclohexan-1-one (PubChem CID 114762012) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-[4-(3-methylphenyl)piperazin-1-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[4-(3-methylphenyl)piperazin-1-yl]cyclohexan-1-one
PubChem CID114762012
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-[4-(3-methylphenyl)piperazin-1-yl]cyclohexan-1-one
SMILESCc1cccc(N2CCN(C3CCC(=O)CC3)CC2)c1
InChIInChI=1S/C17H24N2O/c1-14-3-2-4-16(13-14)19-11-9-18(10-12-19)15-5-7-17(20)8-6-15/h2-4,13,15H,5-12H2,1H3
InChIKeyVJEBTZXCWQIYDJ-UHFFFAOYSA-N
XLogP2.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930620
3-[4-(3-methylphenyl)piperazin-1-yl]azepane
CID 62642253
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 57442462
1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride
CID 154920531
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
4-[[4-[4-(3-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 75510884
5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110689681
4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexan-1-one
CID 11098892
2-[4-(3-methylphenyl)piperazin-1-yl]cyclohexane-1-carbonitrile
CID 43291657
4-[4-(3-methylphenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol
CID 60703870
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine;oxalic acid
CID 17369760
1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine
CID 784467

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylphenyl)piperazin-1-yl]cyclohexan-1-one?
The IUPAC name of 4-[4-(3-methylphenyl)piperazin-1-yl]cyclohexan-1-one (CID 114762012) is 4-[4-(3-methylphenyl)piperazin-1-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[4-(3-methylphenyl)piperazin-1-yl]cyclohexan-1-one?
The canonical SMILES for 4-[4-(3-methylphenyl)piperazin-1-yl]cyclohexan-1-one is Cc1cccc(N2CCN(C3CCC(=O)CC3)CC2)c1.
What is the InChIKey of 4-[4-(3-methylphenyl)piperazin-1-yl]cyclohexan-1-one?
The InChIKey is VJEBTZXCWQIYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14-3-2-4-16(13-14)19-11-9-18(10-12-19)15-5-7-17(20)8-6-15/h2-4,13,15H,5-12H2,1H3.
What are the key properties of 4-[4-(3-methylphenyl)piperazin-1-yl]cyclohexan-1-one?
4-[4-(3-methylphenyl)piperazin-1-yl]cyclohexan-1-one has a molecular weight of 272.39 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylphenyl)piperazin-1-yl]cyclohexan-1-one is sourced from PubChem (CID 114762012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).