1-[(2-chloro-6-methylphenyl)methyl]piperidin-3-amine

C13H19ClN2 — CID 24905023

IUPAC1-[(2-chloro-6-methylphenyl)methyl]piperidin-3-amine
SMILESCc1cccc(Cl)c1CN1CCCC(N)C1
InChIInChI=1S/C13H19ClN2/c1-10-4-2-6-13(14)12(10)9-16-7-3-5-11(15)8-16/h2,4,6,11H,3,5,7-9,15H2,1H3
InChIKeyWSVHNXRLZXGCIX-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.57
Rot. Bonds2

About 1-[(2-chloro-6-methylphenyl)methyl]piperidin-3-amine

1-[(2-chloro-6-methylphenyl)methyl]piperidin-3-amine (PubChem CID 24905023) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-[(2-chloro-6-methylphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[(2-chloro-6-methylphenyl)methyl]piperidin-3-amine
PubChem CID24905023
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-[(2-chloro-6-methylphenyl)methyl]piperidin-3-amine
SMILESCc1cccc(Cl)c1CN1CCCC(N)C1
InChIInChI=1S/C13H19ClN2/c1-10-4-2-6-13(14)12(10)9-16-7-3-5-11(15)8-16/h2,4,6,11H,3,5,7-9,15H2,1H3
InChIKeyWSVHNXRLZXGCIX-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2-chloro-6-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24905028
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 86313839
(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine
CID 24904568
3-chloro-2-[(3-ethylpiperidin-1-yl)methyl]aniline
CID 63745585
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 11160034
(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine
CID 102977398
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069136
1-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-3-ol
CID 115879745
(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 102977250
ethyl 4-[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]piperazine-1-carboxylate
CID 43920595
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-methylphenyl)methyl]piperidin-3-amine?
The IUPAC name of 1-[(2-chloro-6-methylphenyl)methyl]piperidin-3-amine (CID 24905023) is 1-[(2-chloro-6-methylphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-[(2-chloro-6-methylphenyl)methyl]piperidin-3-amine?
The canonical SMILES for 1-[(2-chloro-6-methylphenyl)methyl]piperidin-3-amine is Cc1cccc(Cl)c1CN1CCCC(N)C1.
What is the InChIKey of 1-[(2-chloro-6-methylphenyl)methyl]piperidin-3-amine?
The InChIKey is WSVHNXRLZXGCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-4-2-6-13(14)12(10)9-16-7-3-5-11(15)8-16/h2,4,6,11H,3,5,7-9,15H2,1H3.
What are the key properties of 1-[(2-chloro-6-methylphenyl)methyl]piperidin-3-amine?
1-[(2-chloro-6-methylphenyl)methyl]piperidin-3-amine has a molecular weight of 238.76 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-methylphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 24905023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).