[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine

C13H19ClN2 — CID 43187060

IUPAC[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1Cc1ccccc1Cl
InChIInChI=1S/C13H19ClN2/c14-13-7-2-1-5-11(13)10-16-8-4-3-6-12(16)9-15/h1-2,5,7,12H,3-4,6,8-10,15H2
InChIKeyXAMVLHWEKQHXSV-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.65
Rot. Bonds3

About [1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine

[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine (PubChem CID 43187060) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
PubChem CID43187060
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1Cc1ccccc1Cl
InChIInChI=1S/C13H19ClN2/c14-13-7-2-1-5-11(13)10-16-8-4-3-6-12(16)9-15/h1-2,5,7,12H,3-4,6,8-10,15H2
InChIKeyXAMVLHWEKQHXSV-UHFFFAOYSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 86329767
[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 29080623
N-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 62579866
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine
CID 43187015
1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928352
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120966357
[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-2-yl]methanamine
CID 120836976
1-[(2-chlorophenyl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036297
[(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine
CID 99927817
[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311614

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine (CID 43187060) is [1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine is NCC1CCCCN1Cc1ccccc1Cl.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine?
The InChIKey is XAMVLHWEKQHXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c14-13-7-2-1-5-11(13)10-16-8-4-3-6-12(16)9-15/h1-2,5,7,12H,3-4,6,8-10,15H2.
What are the key properties of [1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine?
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine has a molecular weight of 238.76 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 43187060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).