3-[(2-bromophenyl)methyl]piperidin-4-amine

C12H17BrN2 — CID 84808609

IUPAC3-[(2-bromophenyl)methyl]piperidin-4-amine
SMILESNC1CCNCC1Cc1ccccc1Br
InChIInChI=1S/C12H17BrN2/c13-11-4-2-1-3-9(11)7-10-8-15-6-5-12(10)14/h1-4,10,12,15H,5-8,14H2
InChIKeyBOHBOMIMCBCHGM-UHFFFAOYSA-N
MW269.19 g/mol
LogP1.93
Rot. Bonds2

About 3-[(2-bromophenyl)methyl]piperidin-4-amine

3-[(2-bromophenyl)methyl]piperidin-4-amine (PubChem CID 84808609) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]piperidin-4-amine
PubChem CID84808609
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name3-[(2-bromophenyl)methyl]piperidin-4-amine
SMILESNC1CCNCC1Cc1ccccc1Br
InChIInChI=1S/C12H17BrN2/c13-11-4-2-1-3-9(11)7-10-8-15-6-5-12(10)14/h1-4,10,12,15H,5-8,14H2
InChIKeyBOHBOMIMCBCHGM-UHFFFAOYSA-N
XLogP1.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(3S,4S)-4-[(2-bromophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanecarboxamide
CID 68837219
(2S)-3-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 71059357
4-[(4-aminopiperidin-3-yl)methyl]phenol
CID 84779211
4-[(2-bromophenyl)methyl]-3,3-difluoropiperidine
CID 84814798
3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol
CID 64907505
2-[(2-bromophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 55186350
3-[(3-methoxyphenyl)methyl]piperidin-4-amine
CID 84787596
N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11595006
3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine
CID 84808890
4-methoxy-3-[(2-methylphenyl)methyl]piperidine
CID 84735198
3-[(2-bromophenyl)methyl]oxan-4-ol
CID 106471230
N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119912776

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl]piperidin-4-amine?
The IUPAC name of 3-[(2-bromophenyl)methyl]piperidin-4-amine (CID 84808609) is 3-[(2-bromophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]piperidin-4-amine?
The canonical SMILES for 3-[(2-bromophenyl)methyl]piperidin-4-amine is NC1CCNCC1Cc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methyl]piperidin-4-amine?
The InChIKey is BOHBOMIMCBCHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c13-11-4-2-1-3-9(11)7-10-8-15-6-5-12(10)14/h1-4,10,12,15H,5-8,14H2.
What are the key properties of 3-[(2-bromophenyl)methyl]piperidin-4-amine?
3-[(2-bromophenyl)methyl]piperidin-4-amine has a molecular weight of 269.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 84808609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).