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

C12H15F2NO — CID 17178047

IUPAC4-[(3,4-difluorophenoxy)methyl]piperidine
SMILESFc1ccc(OCC2CCNCC2)cc1F
InChIInChI=1S/C12H15F2NO/c13-11-2-1-10(7-12(11)14)16-8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2
InChIKeyGCIXRQFOJFCOHJ-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.34
Rot. Bonds3

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

4-[(3,4-difluorophenoxy)methyl]piperidine (PubChem CID 17178047) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 4-[(3,4-difluorophenoxy)methyl]piperidine.

Molecular Properties

Compound Name4-[(3,4-difluorophenoxy)methyl]piperidine
PubChem CID17178047
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name4-[(3,4-difluorophenoxy)methyl]piperidine
SMILESFc1ccc(OCC2CCNCC2)cc1F
InChIInChI=1S/C12H15F2NO/c13-11-2-1-10(7-12(11)14)16-8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2
InChIKeyGCIXRQFOJFCOHJ-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenoxy)methyl]piperidine?
The IUPAC name of 4-[(3,4-difluorophenoxy)methyl]piperidine (CID 17178047) is 4-[(3,4-difluorophenoxy)methyl]piperidine.
What is the SMILES notation for 4-[(3,4-difluorophenoxy)methyl]piperidine?
The canonical SMILES for 4-[(3,4-difluorophenoxy)methyl]piperidine is Fc1ccc(OCC2CCNCC2)cc1F.
What is the InChIKey of 4-[(3,4-difluorophenoxy)methyl]piperidine?
The InChIKey is GCIXRQFOJFCOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-11-2-1-10(7-12(11)14)16-8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2.
What are the key properties of 4-[(3,4-difluorophenoxy)methyl]piperidine?
4-[(3,4-difluorophenoxy)methyl]piperidine has a molecular weight of 227.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenoxy)methyl]piperidine is sourced from PubChem (CID 17178047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).