3,3-difluoro-4-phenylmethoxypiperidine

C12H15F2NO — CID 46177342

IUPAC3,3-difluoro-4-phenylmethoxypiperidine
SMILESFC1(F)CNCCC1OCc1ccccc1
InChIInChI=1S/C12H15F2NO/c13-12(14)9-15-7-6-11(12)16-8-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2
InChIKeyOBLKTQVTONDPQK-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.20
Rot. Bonds3

About 3,3-difluoro-4-phenylmethoxypiperidine

3,3-difluoro-4-phenylmethoxypiperidine (PubChem CID 46177342) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 3,3-difluoro-4-phenylmethoxypiperidine.

Molecular Properties

Compound Name3,3-difluoro-4-phenylmethoxypiperidine
PubChem CID46177342
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name3,3-difluoro-4-phenylmethoxypiperidine
SMILESFC1(F)CNCCC1OCc1ccccc1
InChIInChI=1S/C12H15F2NO/c13-12(14)9-15-7-6-11(12)16-8-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2
InChIKeyOBLKTQVTONDPQK-UHFFFAOYSA-N
XLogP2.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-4-phenylmethoxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-phenylmethoxypiperidine?
The IUPAC name of 3,3-difluoro-4-phenylmethoxypiperidine (CID 46177342) is 3,3-difluoro-4-phenylmethoxypiperidine.
What is the SMILES notation for 3,3-difluoro-4-phenylmethoxypiperidine?
The canonical SMILES for 3,3-difluoro-4-phenylmethoxypiperidine is FC1(F)CNCCC1OCc1ccccc1.
What is the InChIKey of 3,3-difluoro-4-phenylmethoxypiperidine?
The InChIKey is OBLKTQVTONDPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-12(14)9-15-7-6-11(12)16-8-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2.
What are the key properties of 3,3-difluoro-4-phenylmethoxypiperidine?
3,3-difluoro-4-phenylmethoxypiperidine has a molecular weight of 227.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-phenylmethoxypiperidine is sourced from PubChem (CID 46177342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).