[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine

C13H19ClN2 — CID 23074040

IUPAC[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2/c14-12-6-4-11(5-7-12)10-16-8-2-1-3-13(16)9-15/h4-7,13H,1-3,8-10,15H2
InChIKeyOWMHJHXRMFKMBR-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.65
Rot. Bonds3

About [1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine

[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine (PubChem CID 23074040) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
PubChem CID23074040
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2/c14-12-6-4-11(5-7-12)10-16-8-2-1-3-13(16)9-15/h4-7,13H,1-3,8-10,15H2
InChIKeyOWMHJHXRMFKMBR-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

2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine
CID 63386616
[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916130
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine
CID 83982520
[(2S)-1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 90478034
[1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 114077036
[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 86329767
[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038
[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311652
[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 29080623
2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899444
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine (CID 23074040) is [1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine is NCC1CCCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine?
The InChIKey is OWMHJHXRMFKMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c14-12-6-4-11(5-7-12)10-16-8-2-1-3-13(16)9-15/h4-7,13H,1-3,8-10,15H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine?
[1-[(4-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-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 23074040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).