2-(2-bromo-4-methoxyphenyl)piperidine

C12H16BrNO — CID 82625568

IUPAC2-(2-bromo-4-methoxyphenyl)piperidine
SMILESCOc1ccc(C2CCCCN2)c(Br)c1
InChIInChI=1S/C12H16BrNO/c1-15-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12/h5-6,8,12,14H,2-4,7H2,1H3
InChIKeyFPPFRUBAOMKLEO-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.27
Rot. Bonds2

About 2-(2-bromo-4-methoxyphenyl)piperidine

2-(2-bromo-4-methoxyphenyl)piperidine (PubChem CID 82625568) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenyl)piperidine.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenyl)piperidine
PubChem CID82625568
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-(2-bromo-4-methoxyphenyl)piperidine
SMILESCOc1ccc(C2CCCCN2)c(Br)c1
InChIInChI=1S/C12H16BrNO/c1-15-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12/h5-6,8,12,14H,2-4,7H2,1H3
InChIKeyFPPFRUBAOMKLEO-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-methoxyphenyl)azepane
CID 62543075
2-(2-bromo-4-methoxyphenyl)azetidine
CID 130534303
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
(2R)-2-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171195361
(2S)-2-(4-methoxy-2-methylphenyl)azepane
CID 26189003
(2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 171194833
4-methoxy-2-[(2S)-piperidin-2-yl]phenol
CID 131531573
4-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131513044
2-(2,4-dibromophenyl)azepane
CID 107938538
2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine
CID 117343126
2-(azepan-2-yl)-5-methoxybenzoic acid
CID 12784739
5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195842

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenyl)piperidine?
The IUPAC name of 2-(2-bromo-4-methoxyphenyl)piperidine (CID 82625568) is 2-(2-bromo-4-methoxyphenyl)piperidine.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenyl)piperidine?
The canonical SMILES for 2-(2-bromo-4-methoxyphenyl)piperidine is COc1ccc(C2CCCCN2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenyl)piperidine?
The InChIKey is FPPFRUBAOMKLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-15-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12/h5-6,8,12,14H,2-4,7H2,1H3.
What are the key properties of 2-(2-bromo-4-methoxyphenyl)piperidine?
2-(2-bromo-4-methoxyphenyl)piperidine has a molecular weight of 270.17 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenyl)piperidine is sourced from PubChem (CID 82625568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).