3,3-difluoro-4-(phenylmethoxymethyl)piperidine

C13H17F2NO — CID 46176678

IUPAC3,3-difluoro-4-(phenylmethoxymethyl)piperidine
SMILESFC1(F)CNCCC1COCc1ccccc1
InChIInChI=1S/C13H17F2NO/c14-13(15)10-16-7-6-12(13)9-17-8-11-4-2-1-3-5-11/h1-5,12,16H,6-10H2
InChIKeyCSJSUJYURQPBAA-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.45
Rot. Bonds4

About 3,3-difluoro-4-(phenylmethoxymethyl)piperidine

3,3-difluoro-4-(phenylmethoxymethyl)piperidine (PubChem CID 46176678) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 3,3-difluoro-4-(phenylmethoxymethyl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-4-(phenylmethoxymethyl)piperidine
PubChem CID46176678
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name3,3-difluoro-4-(phenylmethoxymethyl)piperidine
SMILESFC1(F)CNCCC1COCc1ccccc1
InChIInChI=1S/C13H17F2NO/c14-13(15)10-16-7-6-12(13)9-17-8-11-4-2-1-3-5-11/h1-5,12,16H,6-10H2
InChIKeyCSJSUJYURQPBAA-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(phenylmethoxymethyl)piperidine?
The IUPAC name of 3,3-difluoro-4-(phenylmethoxymethyl)piperidine (CID 46176678) is 3,3-difluoro-4-(phenylmethoxymethyl)piperidine.
What is the SMILES notation for 3,3-difluoro-4-(phenylmethoxymethyl)piperidine?
The canonical SMILES for 3,3-difluoro-4-(phenylmethoxymethyl)piperidine is FC1(F)CNCCC1COCc1ccccc1.
What is the InChIKey of 3,3-difluoro-4-(phenylmethoxymethyl)piperidine?
The InChIKey is CSJSUJYURQPBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-13(15)10-16-7-6-12(13)9-17-8-11-4-2-1-3-5-11/h1-5,12,16H,6-10H2.
What are the key properties of 3,3-difluoro-4-(phenylmethoxymethyl)piperidine?
3,3-difluoro-4-(phenylmethoxymethyl)piperidine has a molecular weight of 241.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(phenylmethoxymethyl)piperidine is sourced from PubChem (CID 46176678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).