[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone

C14H17ClN2O — CID 50742286

IUPAC[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(5-6-14)13(18)17-9-7-16-8-10-17/h1-4,16H,5-10H2
InChIKeyAMTPPTAZFCDLBZ-UHFFFAOYSA-N
MW264.76 g/mol
LogP1.80
Rot. Bonds2

About [1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone

[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone (PubChem CID 50742286) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
PubChem CID50742286
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(5-6-14)13(18)17-9-7-16-8-10-17/h1-4,16H,5-10H2
InChIKeyAMTPPTAZFCDLBZ-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401297
[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403724
[1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997387
[1-(4-aminophenyl)cyclopropyl]-(1,4-diazepan-1-yl)methanone
CID 112558251
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251424
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 119401673
1-(4-chlorophenyl)cyclobutane-1-carboxylic acid;[1-(4-chlorophenyl)cyclobutyl]-(4-hydroxypiperidin-1-yl)methanone;piperidin-4-ol
CID 161247840
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
[1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31564704
[1-(4-chlorophenyl)cyclopropyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119636111
(1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone
CID 59716936

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone (CID 50742286) is [1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone is O=C(N1CCNCC1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone?
The InChIKey is AMTPPTAZFCDLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(5-6-14)13(18)17-9-7-16-8-10-17/h1-4,16H,5-10H2.
What are the key properties of [1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone?
[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone has a molecular weight of 264.76 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 50742286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).