1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride

C13H20BrClN2O — CID 119909997

IUPAC1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride
SMILESCOc1ccc(Br)cc1CN1CCCC(N)C1.Cl
InChIInChI=1S/C13H19BrN2O.ClH/c1-17-13-5-4-11(14)7-10(13)8-16-6-2-3-12(15)9-16;/h4-5,7,12H,2-3,6,8-9,15H2,1H3;1H
InChIKeyWZEASLPZWUOJAU-UHFFFAOYSA-N
MW335.67 g/mol
LogP2.80
Rot. Bonds3

About 1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride

1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride (PubChem CID 119909997) has the molecular formula C13H20BrClN2O and a molecular weight of 335.67 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride
PubChem CID119909997
Molecular FormulaC13H20BrClN2O
Molecular Weight335.67 g/mol
Exact Mass334.04
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride
SMILESCOc1ccc(Br)cc1CN1CCCC(N)C1.Cl
InChIInChI=1S/C13H19BrN2O.ClH/c1-17-13-5-4-11(14)7-10(13)8-16-6-2-3-12(15)9-16;/h4-5,7,12H,2-3,6,8-9,15H2,1H3;1H
InChIKeyWZEASLPZWUOJAU-UHFFFAOYSA-N
XLogP2.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.67
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 27267231
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(bromomethyl)pyrrolidine
CID 80691732
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine
CID 60670302
3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 62035741
1-[3-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 102977480
2-[(5-bromo-2-methoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78950366
1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910008
azepan-1-yl-[(3S)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 1293873
1-[(5-bromo-2-methoxyphenyl)methyl]-4-methylsulfanylazepane
CID 114237822
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine
CID 63456658

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride (CID 119909997) is 1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride is COc1ccc(Br)cc1CN1CCCC(N)C1.Cl.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride?
The InChIKey is WZEASLPZWUOJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O.ClH/c1-17-13-5-4-11(14)7-10(13)8-16-6-2-3-12(15)9-16;/h4-5,7,12H,2-3,6,8-9,15H2,1H3;1H.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride?
1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride has a molecular weight of 335.67 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 119909997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).