4-[(2-bromophenyl)methyl]-3,3-difluoropiperidine

C12H14BrF2N — CID 84814798

IUPAC4-[(2-bromophenyl)methyl]-3,3-difluoropiperidine
SMILESFC1(F)CNCCC1Cc1ccccc1Br
InChIInChI=1S/C12H14BrF2N/c13-11-4-2-1-3-9(11)7-10-5-6-16-8-12(10,14)15/h1-4,10,16H,5-8H2
InChIKeyHBOYOEOVGVQMDD-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.24
Rot. Bonds2

About 4-[(2-bromophenyl)methyl]-3,3-difluoropiperidine

4-[(2-bromophenyl)methyl]-3,3-difluoropiperidine (PubChem CID 84814798) has the molecular formula C12H14BrF2N and a molecular weight of 290.15 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methyl]-3,3-difluoropiperidine.

Molecular Properties

Compound Name4-[(2-bromophenyl)methyl]-3,3-difluoropiperidine
PubChem CID84814798
Molecular FormulaC12H14BrF2N
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name4-[(2-bromophenyl)methyl]-3,3-difluoropiperidine
SMILESFC1(F)CNCCC1Cc1ccccc1Br
InChIInChI=1S/C12H14BrF2N/c13-11-4-2-1-3-9(11)7-10-5-6-16-8-12(10,14)15/h1-4,10,16H,5-8H2
InChIKeyHBOYOEOVGVQMDD-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-chlorophenyl)methyl]-3,3-difluoropiperidine
CID 84705381
4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine
CID 84701340
3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine
CID 84689880
3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine
CID 84680894
3-[(2-bromophenyl)methyl]piperidin-4-amine
CID 84808609
(4R)-3,3-difluoro-4-phenylpiperidine
CID 97032408
N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119912776
4-bromo-1-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 70612738
4-(3-bromophenyl)-3,3-difluoropiperidine
CID 105426890
3,3-difluoro-4-(2-methylpropyl)piperidine;ethane
CID 160527245
2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 83749686
(4R)-3,3-difluoro-N-methyl-N-[(1R)-1-phenylethyl]piperidin-4-amine
CID 154669081

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methyl]-3,3-difluoropiperidine?
The IUPAC name of 4-[(2-bromophenyl)methyl]-3,3-difluoropiperidine (CID 84814798) is 4-[(2-bromophenyl)methyl]-3,3-difluoropiperidine.
What is the SMILES notation for 4-[(2-bromophenyl)methyl]-3,3-difluoropiperidine?
The canonical SMILES for 4-[(2-bromophenyl)methyl]-3,3-difluoropiperidine is FC1(F)CNCCC1Cc1ccccc1Br.
What is the InChIKey of 4-[(2-bromophenyl)methyl]-3,3-difluoropiperidine?
The InChIKey is HBOYOEOVGVQMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2N/c13-11-4-2-1-3-9(11)7-10-5-6-16-8-12(10,14)15/h1-4,10,16H,5-8H2.
What are the key properties of 4-[(2-bromophenyl)methyl]-3,3-difluoropiperidine?
4-[(2-bromophenyl)methyl]-3,3-difluoropiperidine has a molecular weight of 290.15 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methyl]-3,3-difluoropiperidine is sourced from PubChem (CID 84814798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).