1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine

C16H25ClN2 — CID 62629419

IUPAC1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine
SMILESCCC1CCCN(CCC(N)c2cccc(Cl)c2)C1
InChIInChI=1S/C16H25ClN2/c1-2-13-5-4-9-19(12-13)10-8-16(18)14-6-3-7-15(17)11-14/h3,6-7,11,13,16H,2,4-5,8-10,12,18H2,1H3
InChIKeyULEPAPUINGIYGX-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.85
Rot. Bonds5

About 1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine

1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine (PubChem CID 62629419) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine
PubChem CID62629419
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine
SMILESCCC1CCCN(CCC(N)c2cccc(Cl)c2)C1
InChIInChI=1S/C16H25ClN2/c1-2-13-5-4-9-19(12-13)10-8-16(18)14-6-3-7-15(17)11-14/h3,6-7,11,13,16H,2,4-5,8-10,12,18H2,1H3
InChIKeyULEPAPUINGIYGX-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine 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-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine
CID 62629736
1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol
CID 112629124
1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine
CID 55098305
3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 62617209
1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62628874
1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 63972223
1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 106589034
3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine
CID 62622896
1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81115610
1-(2-chlorophenyl)-3-(3-ethylpyrrolidin-1-yl)propan-1-amine
CID 113418867
1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol
CID 62623074
4-(3-ethylpiperidin-1-yl)butan-2-amine
CID 43584476

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine (CID 62629419) is 1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine is CCC1CCCN(CCC(N)c2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine?
The InChIKey is ULEPAPUINGIYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-2-13-5-4-9-19(12-13)10-8-16(18)14-6-3-7-15(17)11-14/h3,6-7,11,13,16H,2,4-5,8-10,12,18H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine?
1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine has a molecular weight of 280.84 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 62629419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).