3-benzyl-4,4-difluoropiperidine

C12H15F2N — CID 84678460

IUPAC3-benzyl-4,4-difluoropiperidine
SMILESFC1(F)CCNCC1Cc1ccccc1
InChIInChI=1S/C12H15F2N/c13-12(14)6-7-15-9-11(12)8-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2
InChIKeyQIFANDQZDGKFRQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.47
Rot. Bonds2

About 3-benzyl-4,4-difluoropiperidine

3-benzyl-4,4-difluoropiperidine (PubChem CID 84678460) has the molecular formula C12H15F2N and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-benzyl-4,4-difluoropiperidine.

Molecular Properties

Compound Name3-benzyl-4,4-difluoropiperidine
PubChem CID84678460
Molecular FormulaC12H15F2N
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-benzyl-4,4-difluoropiperidine
SMILESFC1(F)CCNCC1Cc1ccccc1
InChIInChI=1S/C12H15F2N/c13-12(14)6-7-15-9-11(12)8-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2
InChIKeyQIFANDQZDGKFRQ-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate
CID 124671693
3-benzyl-4-ethyl-4-(methoxymethyl)piperidine
CID 79321073
5-benzyl-9,9,11-trimethyl-3-azaspiro[5.5]undecane
CID 81304027
5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane
CID 79320491
5-benzyl-8,10,10-trimethyl-3-azaspiro[5.5]undecane
CID 79310597
3,3-difluoro-4-[(4-fluorophenyl)methyl]pyrrolidine
CID 84680896
3'-benzylspiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine]
CID 105366313
3,3-difluoro-4-[(3-fluorophenyl)methyl]pyrrolidine
CID 84680895
4-benzyl-3,4-diethylpiperidine
CID 79312303
4-benzyl-4-fluoropiperidine;ethane
CID 154662481
4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid
CID 114509068
3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine
CID 84680894

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4,4-difluoropiperidine?
The IUPAC name of 3-benzyl-4,4-difluoropiperidine (CID 84678460) is 3-benzyl-4,4-difluoropiperidine.
What is the SMILES notation for 3-benzyl-4,4-difluoropiperidine?
The canonical SMILES for 3-benzyl-4,4-difluoropiperidine is FC1(F)CCNCC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4,4-difluoropiperidine?
The InChIKey is QIFANDQZDGKFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-12(14)6-7-15-9-11(12)8-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2.
What are the key properties of 3-benzyl-4,4-difluoropiperidine?
3-benzyl-4,4-difluoropiperidine has a molecular weight of 211.26 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4,4-difluoropiperidine is sourced from PubChem (CID 84678460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).