1-[2-(3-chlorophenyl)propyl]piperidin-3-amine

C14H21ClN2 — CID 120834767

IUPAC1-[2-(3-chlorophenyl)propyl]piperidin-3-amine
SMILESCC(CN1CCCC(N)C1)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-11(12-4-2-5-13(15)8-12)9-17-7-3-6-14(16)10-17/h2,4-5,8,11,14H,3,6-7,9-10,16H2,1H3
InChIKeyUNMVQNTVXAMZER-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.87
Rot. Bonds3

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

1-[2-(3-chlorophenyl)propyl]piperidin-3-amine (PubChem CID 120834767) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)propyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)propyl]piperidin-3-amine
PubChem CID120834767
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-[2-(3-chlorophenyl)propyl]piperidin-3-amine
SMILESCC(CN1CCCC(N)C1)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-11(12-4-2-5-13(15)8-12)9-17-7-3-6-14(16)10-17/h2,4-5,8,11,14H,3,6-7,9-10,16H2,1H3
InChIKeyUNMVQNTVXAMZER-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine
CID 120837905
1-[2-(3-chlorophenyl)propyl]piperidin-4-ol
CID 86804164
2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
CID 99828801
[4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol
CID 86817957
2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843488
(3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine
CID 129366524
[(3R)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]methanol
CID 129425520
(3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905419
1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine
CID 62629419
(2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide
CID 99857105
N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
CID 99823532
N-methyl-1-(2-phenylpropyl)piperidin-3-amine
CID 55086340

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)propyl]piperidin-3-amine?
The IUPAC name of 1-[2-(3-chlorophenyl)propyl]piperidin-3-amine (CID 120834767) is 1-[2-(3-chlorophenyl)propyl]piperidin-3-amine.
What is the SMILES notation for 1-[2-(3-chlorophenyl)propyl]piperidin-3-amine?
The canonical SMILES for 1-[2-(3-chlorophenyl)propyl]piperidin-3-amine is CC(CN1CCCC(N)C1)c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)propyl]piperidin-3-amine?
The InChIKey is UNMVQNTVXAMZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11(12-4-2-5-13(15)8-12)9-17-7-3-6-14(16)10-17/h2,4-5,8,11,14H,3,6-7,9-10,16H2,1H3.
What are the key properties of 1-[2-(3-chlorophenyl)propyl]piperidin-3-amine?
1-[2-(3-chlorophenyl)propyl]piperidin-3-amine has a molecular weight of 252.79 g/mol, XLogP of 2.87, 3 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]piperidin-3-amine is sourced from PubChem (CID 120834767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).