3-[(2-bromo-6-methoxyphenyl)methyl]piperidine

C13H18BrNO — CID 84812911

IUPAC3-[(2-bromo-6-methoxyphenyl)methyl]piperidine
SMILESCOc1cccc(Br)c1CC1CCCNC1
InChIInChI=1S/C13H18BrNO/c1-16-13-6-2-5-12(14)11(13)8-10-4-3-7-15-9-10/h2,5-6,10,15H,3-4,7-9H2,1H3
InChIKeyMPZGKCZUTWANTP-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.00
Rot. Bonds3

About 3-[(2-bromo-6-methoxyphenyl)methyl]piperidine

3-[(2-bromo-6-methoxyphenyl)methyl]piperidine (PubChem CID 84812911) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-[(2-bromo-6-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(2-bromo-6-methoxyphenyl)methyl]piperidine
PubChem CID84812911
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name3-[(2-bromo-6-methoxyphenyl)methyl]piperidine
SMILESCOc1cccc(Br)c1CC1CCCNC1
InChIInChI=1S/C13H18BrNO/c1-16-13-6-2-5-12(14)11(13)8-10-4-3-7-15-9-10/h2,5-6,10,15H,3-4,7-9H2,1H3
InChIKeyMPZGKCZUTWANTP-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromo-3,6-dimethoxyphenyl)methyl]piperidine
CID 117499754
3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810049
3-[(2-ethyl-3,6-dimethoxyphenyl)methyl]piperidine
CID 117413501
3-[(2-chloro-3,6-dimethoxyphenyl)methyl]piperidine
CID 117427851
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol
CID 84799633
2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117316206
3-[(6-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386358
3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine
CID 84799616
3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine
CID 62356017
3-[(3-bromo-4-fluoro-5-methoxyphenyl)methyl]piperidine
CID 117486667
(3S)-3-[2-(3-bromo-2-methylphenoxy)ethyl]piperidine
CID 170321208

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-6-methoxyphenyl)methyl]piperidine?
The IUPAC name of 3-[(2-bromo-6-methoxyphenyl)methyl]piperidine (CID 84812911) is 3-[(2-bromo-6-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(2-bromo-6-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 3-[(2-bromo-6-methoxyphenyl)methyl]piperidine is COc1cccc(Br)c1CC1CCCNC1.
What is the InChIKey of 3-[(2-bromo-6-methoxyphenyl)methyl]piperidine?
The InChIKey is MPZGKCZUTWANTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-16-13-6-2-5-12(14)11(13)8-10-4-3-7-15-9-10/h2,5-6,10,15H,3-4,7-9H2,1H3.
What are the key properties of 3-[(2-bromo-6-methoxyphenyl)methyl]piperidine?
3-[(2-bromo-6-methoxyphenyl)methyl]piperidine has a molecular weight of 284.20 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-6-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 84812911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).