1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine

C13H19ClN2 — CID 61297742

IUPAC1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine
SMILESCC(c1ccc(Cl)cc1)N1CCCC(N)C1
InChIInChI=1S/C13H19ClN2/c1-10(11-4-6-12(14)7-5-11)16-8-2-3-13(15)9-16/h4-7,10,13H,2-3,8-9,15H2,1H3
InChIKeyHUPUCOISZYWXDU-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.82
Rot. Bonds2

About 1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine

1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine (PubChem CID 61297742) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine
PubChem CID61297742
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine
SMILESCC(c1ccc(Cl)cc1)N1CCCC(N)C1
InChIInChI=1S/C13H19ClN2/c1-10(11-4-6-12(14)7-5-11)16-8-2-3-13(15)9-16/h4-7,10,13H,2-3,8-9,15H2,1H3
InChIKeyHUPUCOISZYWXDU-UHFFFAOYSA-N
XLogP2.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917726
N-[[1-[1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240956
1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
CID 43130879
2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one
CID 62036312
N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838903
1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine
CID 61297752
[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915680
N-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine
CID 61204878
(3R)-1-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677629
2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728172
(3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905419
3-[1-[1-(4-chlorophenyl)ethyl]piperidin-3-yl]butanoic acid
CID 81048429

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine (CID 61297742) is 1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine is CC(c1ccc(Cl)cc1)N1CCCC(N)C1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine?
The InChIKey is HUPUCOISZYWXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10(11-4-6-12(14)7-5-11)16-8-2-3-13(15)9-16/h4-7,10,13H,2-3,8-9,15H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine?
1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine has a molecular weight of 238.76 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine is sourced from PubChem (CID 61297742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).