[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone

C19H24F2N2O — CID 113073154

IUPAC[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C19H24F2N2O/c20-17-7-6-16(14-18(17)21)19(24)23-12-10-22(11-13-23)9-8-15-4-2-1-3-5-15/h4,6-7,14H,1-3,5,8-13H2
InChIKeyVSDMBPBXCIAOSU-UHFFFAOYSA-N
MW334.41 g/mol
LogP3.61
Rot. Bonds4

About [4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone

[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone (PubChem CID 113073154) has the molecular formula C19H24F2N2O and a molecular weight of 334.41 g/mol. Its IUPAC name is [4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
PubChem CID113073154
Molecular FormulaC19H24F2N2O
Molecular Weight334.41 g/mol
Exact Mass334.19
IUPAC Name[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C19H24F2N2O/c20-17-7-6-16(14-18(17)21)19(24)23-12-10-22(11-13-23)9-8-15-4-2-1-3-5-15/h4,6-7,14H,1-3,5,8-13H2
InChIKeyVSDMBPBXCIAOSU-UHFFFAOYSA-N
XLogP3.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 113073116
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 113073115
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 113073131
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanoic acid;hydrochloride
CID 154739595
2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122805
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 113073111
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanenitrile
CID 28705418
cyclobutyl-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]methanone
CID 113073170
2-[4-(3,4-difluorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62823379
2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid
CID 82119731
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981002
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetonitrile
CID 28705338

Frequently Asked Questions

What is the IUPAC name of [4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone?
The IUPAC name of [4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone (CID 113073154) is [4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone.
What is the SMILES notation for [4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone?
The canonical SMILES for [4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone is O=C(c1ccc(F)c(F)c1)N1CCN(CCC2=CCCCC2)CC1.
What is the InChIKey of [4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone?
The InChIKey is VSDMBPBXCIAOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O/c20-17-7-6-16(14-18(17)21)19(24)23-12-10-22(11-13-23)9-8-15-4-2-1-3-5-15/h4,6-7,14H,1-3,5,8-13H2.
What are the key properties of [4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone?
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone has a molecular weight of 334.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 113073154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).