[1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride

C13H20BrClN2 — CID 119915654

IUPAC[1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(Cc2ccccc2Br)C1
InChIInChI=1S/C13H19BrN2.ClH/c14-13-6-2-1-5-12(13)10-16-7-3-4-11(8-15)9-16;/h1-2,5-6,11H,3-4,7-10,15H2;1H
InChIKeyYUIGYGBJXDNCKF-UHFFFAOYSA-N
MW319.67 g/mol
LogP3.04
Rot. Bonds3

About [1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride

[1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride (PubChem CID 119915654) has the molecular formula C13H20BrClN2 and a molecular weight of 319.67 g/mol. Its IUPAC name is [1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
PubChem CID119915654
Molecular FormulaC13H20BrClN2
Molecular Weight319.67 g/mol
Exact Mass318.05
IUPAC Name[1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(Cc2ccccc2Br)C1
InChIInChI=1S/C13H19BrN2.ClH/c14-13-6-2-1-5-12(13)10-16-7-3-4-11(8-15)9-16;/h1-2,5-6,11H,3-4,7-10,15H2;1H
InChIKeyYUIGYGBJXDNCKF-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.67
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-bromophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728391
3-(bromomethyl)-1-[(2-bromophenyl)methyl]piperidine
CID 80679308
[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
CID 40514210
(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine
CID 24904438
1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine
CID 63388518
(3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53256252
3-bromo-1-[(2-bromophenyl)methyl]piperidine
CID 80679518
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine
CID 43658934
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915607
2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728383
1-[(2-bromophenyl)methyl]piperidine-3-carbaldehyde
CID 62662381

Frequently Asked Questions

What is the IUPAC name of [1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride (CID 119915654) is [1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride is Cl.NCC1CCCN(Cc2ccccc2Br)C1.
What is the InChIKey of [1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride?
The InChIKey is YUIGYGBJXDNCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2.ClH/c14-13-6-2-1-5-12(13)10-16-7-3-4-11(8-15)9-16;/h1-2,5-6,11H,3-4,7-10,15H2;1H.
What are the key properties of [1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride?
[1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride has a molecular weight of 319.67 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119915654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).