1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine

C15H23ClN2 — CID 120837905

IUPAC1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(CC(C)c2cccc(Cl)c2)C1
InChIInChI=1S/C15H23ClN2/c1-12(13-5-3-6-14(16)9-13)10-18-8-4-7-15(11-18)17-2/h3,5-6,9,12,15,17H,4,7-8,10-11H2,1-2H3
InChIKeyDOJPCHWHMWLMCF-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.13
Rot. Bonds4

About 1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine

1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine (PubChem CID 120837905) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine
PubChem CID120837905
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(CC(C)c2cccc(Cl)c2)C1
InChIInChI=1S/C15H23ClN2/c1-12(13-5-3-6-14(16)9-13)10-18-8-4-7-15(11-18)17-2/h3,5-6,9,12,15,17H,4,7-8,10-11H2,1-2H3
InChIKeyDOJPCHWHMWLMCF-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)propyl]piperidin-3-amine
CID 120834767
N-methyl-1-(2-phenylpropyl)piperidin-3-amine
CID 55086340
1-[2-(3-chlorophenyl)propyl]piperidin-4-ol
CID 86804164
1-[1-(3-chlorophenyl)-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]ethyl]cyclohexan-1-ol
CID 59701265
2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843488
N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
CID 99823532
[4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol
CID 86817957
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine
CID 54965150
2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
CID 99828801
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923709
1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine
CID 129382633

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine?
The IUPAC name of 1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine (CID 120837905) is 1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine is CNC1CCCN(CC(C)c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine?
The InChIKey is DOJPCHWHMWLMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-12(13-5-3-6-14(16)9-13)10-18-8-4-7-15(11-18)17-2/h3,5-6,9,12,15,17H,4,7-8,10-11H2,1-2H3.
What are the key properties of 1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine?
1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine has a molecular weight of 266.82 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 120837905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).