2-[4-bromo-2-(methoxymethyl)phenyl]piperidine

C13H18BrNO — CID 117457372

IUPAC2-[4-bromo-2-(methoxymethyl)phenyl]piperidine
SMILESCOCc1cc(Br)ccc1C1CCCCN1
InChIInChI=1S/C13H18BrNO/c1-16-9-10-8-11(14)5-6-12(10)13-4-2-3-7-15-13/h5-6,8,13,15H,2-4,7,9H2,1H3
InChIKeyZXANBALXXOMDJH-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.41
Rot. Bonds3

About 2-[4-bromo-2-(methoxymethyl)phenyl]piperidine

2-[4-bromo-2-(methoxymethyl)phenyl]piperidine (PubChem CID 117457372) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-[4-bromo-2-(methoxymethyl)phenyl]piperidine.

Molecular Properties

Compound Name2-[4-bromo-2-(methoxymethyl)phenyl]piperidine
PubChem CID117457372
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-[4-bromo-2-(methoxymethyl)phenyl]piperidine
SMILESCOCc1cc(Br)ccc1C1CCCCN1
InChIInChI=1S/C13H18BrNO/c1-16-9-10-8-11(14)5-6-12(10)13-4-2-3-7-15-13/h5-6,8,13,15H,2-4,7,9H2,1H3
InChIKeyZXANBALXXOMDJH-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dibromophenyl)azepane
CID 107938538
2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine
CID 117343126
2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine
CID 117381690
(2R)-2-(5-bromo-2-ethoxyphenyl)piperidine
CID 42579904
2-[1-[4-bromo-2-(methoxymethyl)phenyl]ethyl]piperidine
CID 174655929
2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]piperidine
CID 117486581
2-(2-bromo-4-methoxyphenyl)piperidine
CID 82625568
(2S)-2-(2,4-dibromophenyl)pyrrolidine
CID 130706941
4-bromo-2-piperidin-2-ylphenol
CID 82623427
(2R)-2-(5-bromo-2-chlorophenyl)piperidine
CID 130632446
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
(2R)-2-(2,5-dibromophenyl)pyrrolidine
CID 131190573

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(methoxymethyl)phenyl]piperidine?
The IUPAC name of 2-[4-bromo-2-(methoxymethyl)phenyl]piperidine (CID 117457372) is 2-[4-bromo-2-(methoxymethyl)phenyl]piperidine.
What is the SMILES notation for 2-[4-bromo-2-(methoxymethyl)phenyl]piperidine?
The canonical SMILES for 2-[4-bromo-2-(methoxymethyl)phenyl]piperidine is COCc1cc(Br)ccc1C1CCCCN1.
What is the InChIKey of 2-[4-bromo-2-(methoxymethyl)phenyl]piperidine?
The InChIKey is ZXANBALXXOMDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-16-9-10-8-11(14)5-6-12(10)13-4-2-3-7-15-13/h5-6,8,13,15H,2-4,7,9H2,1H3.
What are the key properties of 2-[4-bromo-2-(methoxymethyl)phenyl]piperidine?
2-[4-bromo-2-(methoxymethyl)phenyl]piperidine has a molecular weight of 284.20 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(methoxymethyl)phenyl]piperidine is sourced from PubChem (CID 117457372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).