[1-(3-hydroxyphenyl)cyclohexyl]-piperazin-1-ylmethanone

C17H24N2O2 — CID 18536151

IUPAC[1-(3-hydroxyphenyl)cyclohexyl]-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)C1(c2cccc(O)c2)CCCCC1
InChIInChI=1S/C17H24N2O2/c20-15-6-4-5-14(13-15)17(7-2-1-3-8-17)16(21)19-11-9-18-10-12-19/h4-6,13,18,20H,1-3,7-12H2
InChIKeyUNAYRRJOSIDMPP-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.03
Rot. Bonds2

About [1-(3-hydroxyphenyl)cyclohexyl]-piperazin-1-ylmethanone

[1-(3-hydroxyphenyl)cyclohexyl]-piperazin-1-ylmethanone (PubChem CID 18536151) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [1-(3-hydroxyphenyl)cyclohexyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-hydroxyphenyl)cyclohexyl]-piperazin-1-ylmethanone
PubChem CID18536151
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[1-(3-hydroxyphenyl)cyclohexyl]-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)C1(c2cccc(O)c2)CCCCC1
InChIInChI=1S/C17H24N2O2/c20-15-6-4-5-14(13-15)17(7-2-1-3-8-17)16(21)19-11-9-18-10-12-19/h4-6,13,18,20H,1-3,7-12H2
InChIKeyUNAYRRJOSIDMPP-UHFFFAOYSA-N
XLogP2.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 119401673
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
[1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401763
[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401297
piperazin-1-yl-(1-thiophen-2-ylcyclohexyl)methanone
CID 119402420
[1-(3-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763147
(1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone
CID 59716936
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
1,4-diazepan-1-yl-[1-(3-methoxy-4-methylphenyl)cyclopentyl]methanone
CID 119415679
1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone
CID 39975229
[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403724
[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 50742286

Frequently Asked Questions

What is the IUPAC name of [1-(3-hydroxyphenyl)cyclohexyl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(3-hydroxyphenyl)cyclohexyl]-piperazin-1-ylmethanone (CID 18536151) is [1-(3-hydroxyphenyl)cyclohexyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(3-hydroxyphenyl)cyclohexyl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(3-hydroxyphenyl)cyclohexyl]-piperazin-1-ylmethanone is O=C(N1CCNCC1)C1(c2cccc(O)c2)CCCCC1.
What is the InChIKey of [1-(3-hydroxyphenyl)cyclohexyl]-piperazin-1-ylmethanone?
The InChIKey is UNAYRRJOSIDMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-15-6-4-5-14(13-15)17(7-2-1-3-8-17)16(21)19-11-9-18-10-12-19/h4-6,13,18,20H,1-3,7-12H2.
What are the key properties of [1-(3-hydroxyphenyl)cyclohexyl]-piperazin-1-ylmethanone?
[1-(3-hydroxyphenyl)cyclohexyl]-piperazin-1-ylmethanone has a molecular weight of 288.39 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-hydroxyphenyl)cyclohexyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 18536151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).