(4-phenylcyclohexyl)-piperazin-1-ylmethanone

C17H24N2O — CID 119401928

IUPAC(4-phenylcyclohexyl)-piperazin-1-ylmethanone
SMILESO=C(C1CCC(c2ccccc2)CC1)N1CCNCC1
InChIInChI=1S/C17H24N2O/c20-17(19-12-10-18-11-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-5,15-16,18H,6-13H2
InChIKeyOMDCBJKUBBRXCQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.39
Rot. Bonds2

About (4-phenylcyclohexyl)-piperazin-1-ylmethanone

(4-phenylcyclohexyl)-piperazin-1-ylmethanone (PubChem CID 119401928) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (4-phenylcyclohexyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(4-phenylcyclohexyl)-piperazin-1-ylmethanone
PubChem CID119401928
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(4-phenylcyclohexyl)-piperazin-1-ylmethanone
SMILESO=C(C1CCC(c2ccccc2)CC1)N1CCNCC1
InChIInChI=1S/C17H24N2O/c20-17(19-12-10-18-11-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-5,15-16,18H,6-13H2
InChIKeyOMDCBJKUBBRXCQ-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-phenylcyclohexyl)-piperazin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994311
(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703069
2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 119178888
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate
CID 66773233
4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone
CID 175756843
7-azabicyclo[2.2.1]heptan-7-yl-(4-phenylcyclohexyl)methanone
CID 167913820
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718
(4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119316139
cyclopropyl(1,4-diazepan-1-yl)methanone
CID 16775568
1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone
CID 22355892
2-[ethyl-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid
CID 129007942

Frequently Asked Questions

What is the IUPAC name of (4-phenylcyclohexyl)-piperazin-1-ylmethanone?
The IUPAC name of (4-phenylcyclohexyl)-piperazin-1-ylmethanone (CID 119401928) is (4-phenylcyclohexyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (4-phenylcyclohexyl)-piperazin-1-ylmethanone?
The canonical SMILES for (4-phenylcyclohexyl)-piperazin-1-ylmethanone is O=C(C1CCC(c2ccccc2)CC1)N1CCNCC1.
What is the InChIKey of (4-phenylcyclohexyl)-piperazin-1-ylmethanone?
The InChIKey is OMDCBJKUBBRXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(19-12-10-18-11-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-5,15-16,18H,6-13H2.
What are the key properties of (4-phenylcyclohexyl)-piperazin-1-ylmethanone?
(4-phenylcyclohexyl)-piperazin-1-ylmethanone has a molecular weight of 272.39 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylcyclohexyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 119401928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).