4,4-difluoro-3-phenylmethoxypiperidine

C12H15F2NO — CID 121008593

IUPAC4,4-difluoro-3-phenylmethoxypiperidine
SMILESFC1(F)CCNCC1OCc1ccccc1
InChIInChI=1S/C12H15F2NO/c13-12(14)6-7-15-8-11(12)16-9-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2
InChIKeyBMAMRPPUOHJSBL-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.20
Rot. Bonds3

About 4,4-difluoro-3-phenylmethoxypiperidine

4,4-difluoro-3-phenylmethoxypiperidine (PubChem CID 121008593) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 4,4-difluoro-3-phenylmethoxypiperidine.

Molecular Properties

Compound Name4,4-difluoro-3-phenylmethoxypiperidine
PubChem CID121008593
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name4,4-difluoro-3-phenylmethoxypiperidine
SMILESFC1(F)CCNCC1OCc1ccccc1
InChIInChI=1S/C12H15F2NO/c13-12(14)6-7-15-8-11(12)16-9-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2
InChIKeyBMAMRPPUOHJSBL-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

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-phenylmethoxypiperidine?
The IUPAC name of 4,4-difluoro-3-phenylmethoxypiperidine (CID 121008593) is 4,4-difluoro-3-phenylmethoxypiperidine.
What is the SMILES notation for 4,4-difluoro-3-phenylmethoxypiperidine?
The canonical SMILES for 4,4-difluoro-3-phenylmethoxypiperidine is FC1(F)CCNCC1OCc1ccccc1.
What is the InChIKey of 4,4-difluoro-3-phenylmethoxypiperidine?
The InChIKey is BMAMRPPUOHJSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-12(14)6-7-15-8-11(12)16-9-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2.
What are the key properties of 4,4-difluoro-3-phenylmethoxypiperidine?
4,4-difluoro-3-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 4,4-difluoro-3-phenylmethoxypiperidine is sourced from PubChem (CID 121008593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).