4-[(3,4-difluorophenyl)methyl]piperidine

C12H15F2N — CID 10729187

IUPAC4-[(3,4-difluorophenyl)methyl]piperidine
SMILESFc1ccc(CC2CCNCC2)cc1F
InChIInChI=1S/C12H15F2N/c13-11-2-1-10(8-12(11)14)7-9-3-5-15-6-4-9/h1-2,8-9,15H,3-7H2
InChIKeyGTIPRWLJTBFXAB-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.51
Rot. Bonds2

About 4-[(3,4-difluorophenyl)methyl]piperidine

4-[(3,4-difluorophenyl)methyl]piperidine (PubChem CID 10729187) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)methyl]piperidine
PubChem CID10729187
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name4-[(3,4-difluorophenyl)methyl]piperidine
SMILESFc1ccc(CC2CCNCC2)cc1F
InChIInChI=1S/C12H15F2N/c13-11-2-1-10(8-12(11)14)7-9-3-5-15-6-4-9/h1-2,8-9,15H,3-7H2
InChIKeyGTIPRWLJTBFXAB-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)methyl]piperidine?
The IUPAC name of 4-[(3,4-difluorophenyl)methyl]piperidine (CID 10729187) is 4-[(3,4-difluorophenyl)methyl]piperidine.
What is the SMILES notation for 4-[(3,4-difluorophenyl)methyl]piperidine?
The canonical SMILES for 4-[(3,4-difluorophenyl)methyl]piperidine is Fc1ccc(CC2CCNCC2)cc1F.
What is the InChIKey of 4-[(3,4-difluorophenyl)methyl]piperidine?
The InChIKey is GTIPRWLJTBFXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-11-2-1-10(8-12(11)14)7-9-3-5-15-6-4-9/h1-2,8-9,15H,3-7H2.
What are the key properties of 4-[(3,4-difluorophenyl)methyl]piperidine?
4-[(3,4-difluorophenyl)methyl]piperidine has a molecular weight of 211.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)methyl]piperidine is sourced from PubChem (CID 10729187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).