1-[2-(bromomethyl)phenyl]-3-methoxypiperidine

C13H18BrNO — CID 107085484

IUPAC1-[2-(bromomethyl)phenyl]-3-methoxypiperidine
SMILESCOC1CCCN(c2ccccc2CBr)C1
InChIInChI=1S/C13H18BrNO/c1-16-12-6-4-8-15(10-12)13-7-3-2-5-11(13)9-14/h2-3,5,7,12H,4,6,8-10H2,1H3
InChIKeyJEUBOUMKRBSVBX-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.20
Rot. Bonds3

About 1-[2-(bromomethyl)phenyl]-3-methoxypiperidine

1-[2-(bromomethyl)phenyl]-3-methoxypiperidine (PubChem CID 107085484) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-[2-(bromomethyl)phenyl]-3-methoxypiperidine.

Molecular Properties

Compound Name1-[2-(bromomethyl)phenyl]-3-methoxypiperidine
PubChem CID107085484
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-[2-(bromomethyl)phenyl]-3-methoxypiperidine
SMILESCOC1CCCN(c2ccccc2CBr)C1
InChIInChI=1S/C13H18BrNO/c1-16-12-6-4-8-15(10-12)13-7-3-2-5-11(13)9-14/h2-3,5,7,12H,4,6,8-10H2,1H3
InChIKeyJEUBOUMKRBSVBX-UHFFFAOYSA-N
XLogP3.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 102961556
3-methoxy-1-phenylpiperidine
CID 70382121
1-[2-(bromomethyl)-5-chlorophenyl]-3-methoxypyrrolidine
CID 107085598
1-[5-bromo-2-(chloromethyl)phenyl]-3-methoxypiperidine
CID 102965866
[4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 102960035
2-[2-(3-ethoxypiperidin-1-yl)phenyl]ethanamine
CID 63787234
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine
CID 102968817
N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 102961538
2-(3-methoxypiperidin-1-yl)pyridine
CID 90697090
5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 102965800
N-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 43373123
8-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 102965797

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)phenyl]-3-methoxypiperidine?
The IUPAC name of 1-[2-(bromomethyl)phenyl]-3-methoxypiperidine (CID 107085484) is 1-[2-(bromomethyl)phenyl]-3-methoxypiperidine.
What is the SMILES notation for 1-[2-(bromomethyl)phenyl]-3-methoxypiperidine?
The canonical SMILES for 1-[2-(bromomethyl)phenyl]-3-methoxypiperidine is COC1CCCN(c2ccccc2CBr)C1.
What is the InChIKey of 1-[2-(bromomethyl)phenyl]-3-methoxypiperidine?
The InChIKey is JEUBOUMKRBSVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-16-12-6-4-8-15(10-12)13-7-3-2-5-11(13)9-14/h2-3,5,7,12H,4,6,8-10H2,1H3.
What are the key properties of 1-[2-(bromomethyl)phenyl]-3-methoxypiperidine?
1-[2-(bromomethyl)phenyl]-3-methoxypiperidine has a molecular weight of 284.20 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)phenyl]-3-methoxypiperidine is sourced from PubChem (CID 107085484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).