1-[(2-bromophenyl)methyl]-3-methylpiperidine

C13H18BrN — CID 60644748

IUPAC1-[(2-bromophenyl)methyl]-3-methylpiperidine
SMILESCC1CCCN(Cc2ccccc2Br)C1
InChIInChI=1S/C13H18BrN/c1-11-5-4-8-15(9-11)10-12-6-2-3-7-13(12)14/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyWPQXIRYYMZJHNN-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.68
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]-3-methylpiperidine

1-[(2-bromophenyl)methyl]-3-methylpiperidine (PubChem CID 60644748) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-methylpiperidine
PubChem CID60644748
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name1-[(2-bromophenyl)methyl]-3-methylpiperidine
SMILESCC1CCCN(Cc2ccccc2Br)C1
InChIInChI=1S/C13H18BrN/c1-11-5-4-8-15(9-11)10-12-6-2-3-7-13(12)14/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyWPQXIRYYMZJHNN-UHFFFAOYSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-1-[(2-bromophenyl)methyl]piperidine
CID 80679518
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine
CID 24904438
3-(bromomethyl)-1-[(2-bromophenyl)methyl]piperidine
CID 80679308
3-bromo-4-[(3-methylpiperidin-1-yl)methyl]aniline
CID 60795850
[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
CID 40514210
1-[(2-bromo-5-methoxyphenyl)methyl]-3-methylpiperidine
CID 65326691
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 55069877
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
1-[(2-bromophenyl)methyl]piperidine-3-carbaldehyde
CID 62662381
[1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915654
1-benzyl-3-methylpiperidine
CID 2794856

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3-methylpiperidine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-methylpiperidine (CID 60644748) is 1-[(2-bromophenyl)methyl]-3-methylpiperidine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-methylpiperidine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-methylpiperidine is CC1CCCN(Cc2ccccc2Br)C1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-methylpiperidine?
The InChIKey is WPQXIRYYMZJHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-11-5-4-8-15(9-11)10-12-6-2-3-7-13(12)14/h2-3,6-7,11H,4-5,8-10H2,1H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-3-methylpiperidine?
1-[(2-bromophenyl)methyl]-3-methylpiperidine has a molecular weight of 268.20 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3-methylpiperidine is sourced from PubChem (CID 60644748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).