[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone

C17H23ClN2O — CID 119516866

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone
SMILESCC(N)C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C17H23ClN2O/c1-12(19)13-5-9-20(10-6-13)16(21)17(7-8-17)14-3-2-4-15(18)11-14/h2-4,11-13H,5-10,19H2,1H3
InChIKeyPFSWPUPSORIIIW-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.96
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone

[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone (PubChem CID 119516866) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone
PubChem CID119516866
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone
SMILESCC(N)C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C17H23ClN2O/c1-12(19)13-5-9-20(10-6-13)16(21)17(7-8-17)14-3-2-4-15(18)11-14/h2-4,11-13H,5-10,19H2,1H3
InChIKeyPFSWPUPSORIIIW-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone 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

[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopentyl]methanone;hydrochloride
CID 119596142
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-fluorophenyl)cyclohexyl]methanone;hydrochloride
CID 119517548
[1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023604
[1-(3-chlorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 134018025
2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide
CID 56813617
[4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563572
[1-(3-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55687550
[1-(3-chlorophenyl)cyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 134048238
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone;hydrochloride
CID 119483410
[1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 110436800
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one
CID 119520449
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 103677890

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone (CID 119516866) is [4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone is CC(N)C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone?
The InChIKey is PFSWPUPSORIIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-12(19)13-5-9-20(10-6-13)16(21)17(7-8-17)14-3-2-4-15(18)11-14/h2-4,11-13H,5-10,19H2,1H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone?
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone has a molecular weight of 306.84 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 119516866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).