4-[(3-bromophenyl)methyl]-3-fluoro-3-methylpiperidine

C13H17BrFN — CID 115052324

IUPAC4-[(3-bromophenyl)methyl]-3-fluoro-3-methylpiperidine
SMILESCC1(F)CNCCC1Cc1cccc(Br)c1
InChIInChI=1S/C13H17BrFN/c1-13(15)9-16-6-5-11(13)7-10-3-2-4-12(14)8-10/h2-4,8,11,16H,5-7,9H2,1H3
InChIKeyJGYKXTTWMVJCOS-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.33
Rot. Bonds2

About 4-[(3-bromophenyl)methyl]-3-fluoro-3-methylpiperidine

4-[(3-bromophenyl)methyl]-3-fluoro-3-methylpiperidine (PubChem CID 115052324) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methyl]-3-fluoro-3-methylpiperidine.

Molecular Properties

Compound Name4-[(3-bromophenyl)methyl]-3-fluoro-3-methylpiperidine
PubChem CID115052324
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name4-[(3-bromophenyl)methyl]-3-fluoro-3-methylpiperidine
SMILESCC1(F)CNCCC1Cc1cccc(Br)c1
InChIInChI=1S/C13H17BrFN/c1-13(15)9-16-6-5-11(13)7-10-3-2-4-12(14)8-10/h2-4,8,11,16H,5-7,9H2,1H3
InChIKeyJGYKXTTWMVJCOS-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine
CID 84705382
4-(3-bromophenyl)-3,3-difluoropiperidine
CID 105426890
2-[(3-bromophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine
CID 117228996
N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 62327410
3-[(3-bromophenyl)methoxy]-3-methylpiperidine
CID 107385756
3-[(3-bromophenyl)methyl]azetidine;hydrochloride
CID 137347061
1-bromo-3-ethylbenzene;ethane
CID 143778556
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715386
3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine
CID 84689880
N-[(3-bromophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63143655
2,2-dimethyl-3-[(3-methylphenyl)methyl]pyrrolidine
CID 83819660
(3-bromophenyl)methyl-difluoroborane;ethane
CID 177030224

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methyl]-3-fluoro-3-methylpiperidine?
The IUPAC name of 4-[(3-bromophenyl)methyl]-3-fluoro-3-methylpiperidine (CID 115052324) is 4-[(3-bromophenyl)methyl]-3-fluoro-3-methylpiperidine.
What is the SMILES notation for 4-[(3-bromophenyl)methyl]-3-fluoro-3-methylpiperidine?
The canonical SMILES for 4-[(3-bromophenyl)methyl]-3-fluoro-3-methylpiperidine is CC1(F)CNCCC1Cc1cccc(Br)c1.
What is the InChIKey of 4-[(3-bromophenyl)methyl]-3-fluoro-3-methylpiperidine?
The InChIKey is JGYKXTTWMVJCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-13(15)9-16-6-5-11(13)7-10-3-2-4-12(14)8-10/h2-4,8,11,16H,5-7,9H2,1H3.
What are the key properties of 4-[(3-bromophenyl)methyl]-3-fluoro-3-methylpiperidine?
4-[(3-bromophenyl)methyl]-3-fluoro-3-methylpiperidine has a molecular weight of 286.19 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methyl]-3-fluoro-3-methylpiperidine is sourced from PubChem (CID 115052324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).