1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine

C14H21ClN2 — CID 54965150

IUPAC1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(C(C)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2/c1-11(12-4-3-5-13(15)10-12)17-8-6-14(16-2)7-9-17/h3-5,10-11,14,16H,6-9H2,1-2H3
InChIKeyYFDLRMRWEUYORK-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.08
Rot. Bonds3

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

1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine (PubChem CID 54965150) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine
PubChem CID54965150
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(C(C)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2/c1-11(12-4-3-5-13(15)10-12)17-8-6-14(16-2)7-9-17/h3-5,10-11,14,16H,6-9H2,1-2H3
InChIKeyYFDLRMRWEUYORK-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923709
(3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905419
8-[1-(3-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740213
N-methyl-1-[1-(3-nitrophenyl)ethyl]piperidin-4-amine;hydrochloride
CID 119923683
N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81493085
N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905925
1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925793
N-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 95158904
1-[1-(3-chlorophenyl)ethyl]-1,4-diazepane
CID 5105220
N-[[1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512123
N-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]methanesulfonamide
CID 86825009
2-[1-(3-chlorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79940142

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine (CID 54965150) is 1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine is CNC1CCN(C(C)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine?
The InChIKey is YFDLRMRWEUYORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11(12-4-3-5-13(15)10-12)17-8-6-14(16-2)7-9-17/h3-5,10-11,14,16H,6-9H2,1-2H3.
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine?
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine has a molecular weight of 252.79 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 54965150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).