2-(3-bromophenyl)-4-fluoro-2-methylpiperidine

C12H15BrFN — CID 115050602

IUPAC2-(3-bromophenyl)-4-fluoro-2-methylpiperidine
SMILESCC1(c2cccc(Br)c2)CC(F)CCN1
InChIInChI=1S/C12H15BrFN/c1-12(8-11(14)5-6-15-12)9-3-2-4-10(13)7-9/h2-4,7,11,15H,5-6,8H2,1H3
InChIKeyPNAWMQPIEVNIMF-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.39
Rot. Bonds1

About 2-(3-bromophenyl)-4-fluoro-2-methylpiperidine

2-(3-bromophenyl)-4-fluoro-2-methylpiperidine (PubChem CID 115050602) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-fluoro-2-methylpiperidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-fluoro-2-methylpiperidine
PubChem CID115050602
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name2-(3-bromophenyl)-4-fluoro-2-methylpiperidine
SMILESCC1(c2cccc(Br)c2)CC(F)CCN1
InChIInChI=1S/C12H15BrFN/c1-12(8-11(14)5-6-15-12)9-3-2-4-10(13)7-9/h2-4,7,11,15H,5-6,8H2,1H3
InChIKeyPNAWMQPIEVNIMF-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2-(3-fluorophenyl)-2-methylpiperidine
CID 115027328
2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride
CID 115053306
(3R)-3-(3-bromophenyl)-3-methylmorpholine
CID 96926768
2-(3-bromophenyl)-2-methylpyrrolidin-3-ol
CID 115047690
4-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 115037542
4-fluoro-2-(2-methoxyphenyl)-2-methylpiperidine;hydrochloride
CID 115054375
1-bromo-3-(1,3-dimethylcyclobutyl)benzene
CID 169179342
2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride
CID 115054403
4-(3-bromophenyl)-2,2-dimethylpiperidine
CID 117258218
6-(3-bromophenyl)-6-methyl-4-(trifluoromethyl)piperidin-2-one
CID 121433165
2-(3-bromophenyl)-2-methylpiperidin-3-one;hydrochloride
CID 115053488
2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine
CID 117229092

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-fluoro-2-methylpiperidine?
The IUPAC name of 2-(3-bromophenyl)-4-fluoro-2-methylpiperidine (CID 115050602) is 2-(3-bromophenyl)-4-fluoro-2-methylpiperidine.
What is the SMILES notation for 2-(3-bromophenyl)-4-fluoro-2-methylpiperidine?
The canonical SMILES for 2-(3-bromophenyl)-4-fluoro-2-methylpiperidine is CC1(c2cccc(Br)c2)CC(F)CCN1.
What is the InChIKey of 2-(3-bromophenyl)-4-fluoro-2-methylpiperidine?
The InChIKey is PNAWMQPIEVNIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-12(8-11(14)5-6-15-12)9-3-2-4-10(13)7-9/h2-4,7,11,15H,5-6,8H2,1H3.
What are the key properties of 2-(3-bromophenyl)-4-fluoro-2-methylpiperidine?
2-(3-bromophenyl)-4-fluoro-2-methylpiperidine has a molecular weight of 272.16 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-fluoro-2-methylpiperidine is sourced from PubChem (CID 115050602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).