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

C13H19BrN2 — CID 43187044

IUPAC[1-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1Cc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2/c14-12-5-3-4-11(8-12)10-16-7-2-1-6-13(16)9-15/h3-5,8,13H,1-2,6-7,9-10,15H2
InChIKeyYHZOWUMOPJEVKY-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.76
Rot. Bonds3

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

[1-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine (PubChem CID 43187044) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is [1-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine
PubChem CID43187044
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name[1-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1Cc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2/c14-12-5-3-4-11(8-12)10-16-7-2-1-6-13(16)9-15/h3-5,8,13H,1-2,6-7,9-10,15H2
InChIKeyYHZOWUMOPJEVKY-UHFFFAOYSA-N
XLogP2.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]-2-(2-chloroethyl)piperidine
CID 63386960
1-[(3-bromophenyl)methyl]-2-(2-chloropropyl)piperidine
CID 112747997
[(2S)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanol
CID 30979696
1-[(3-bromophenyl)methyl]-2-(chloromethyl)pyrrolidine
CID 63388042
[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916130
[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 115741342
[1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 114077036
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine
CID 115741520
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
[1-[(3-bromo-5-nitrophenyl)methyl]piperidin-2-yl]methanamine
CID 103351293
[1-[(4-bromo-3-methylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311730

Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [1-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine (CID 43187044) is [1-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [1-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine is NCC1CCCCN1Cc1cccc(Br)c1.
What is the InChIKey of [1-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine?
The InChIKey is YHZOWUMOPJEVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c14-12-5-3-4-11(8-12)10-16-7-2-1-6-13(16)9-15/h3-5,8,13H,1-2,6-7,9-10,15H2.
What are the key properties of [1-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine?
[1-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine has a molecular weight of 283.21 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 43187044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).