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

C14H21ClN2 — CID 43181057

IUPACN-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
SMILESCC(NC1CCN(C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2/c1-11(12-3-5-13(15)6-4-12)16-14-7-9-17(2)10-8-14/h3-6,11,14,16H,7-10H2,1-2H3
InChIKeyGCYXHLZQNOZYNM-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.08
Rot. Bonds3

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

N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine (PubChem CID 43181057) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
PubChem CID43181057
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
SMILESCC(NC1CCN(C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2/c1-11(12-3-5-13(15)6-4-12)16-14-7-9-17(2)10-8-14/h3-6,11,14,16H,7-10H2,1-2H3
InChIKeyGCYXHLZQNOZYNM-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

N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81352092
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
N-[1-(4-chlorophenyl)-2-methylpropyl]-1-methylpiperidin-4-amine
CID 43234109
1-tert-butyl-N-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
CID 60931192
1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone
CID 81352402
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 81353013
N-[(1R)-1-(4-chlorophenyl)ethyl]-1,1-dioxothian-4-amine
CID 81352385
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 81353525
1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289
1-methyl-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperidin-4-amine
CID 86793716
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine
CID 81366828

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine (CID 43181057) is N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine is CC(NC1CCN(C)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine?
The InChIKey is GCYXHLZQNOZYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11(12-3-5-13(15)6-4-12)16-14-7-9-17(2)10-8-14/h3-6,11,14,16H,7-10H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine?
N-[1-(4-chlorophenyl)ethyl]-1-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 N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 43181057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).