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

C13H17F2NO — CID 164633313

IUPAC(3R)-4,4-difluoro-3-(phenylmethoxymethyl)piperidine
SMILESFC1(F)CCNC[C@@H]1COCc1ccccc1
InChIInChI=1S/C13H17F2NO/c14-13(15)6-7-16-8-12(13)10-17-9-11-4-2-1-3-5-11/h1-5,12,16H,6-10H2/t12-/m1/s1
InChIKeyQAHDTGBKOVMAQL-GFCCVEGCSA-N
MW241.28 g/mol
LogP2.45
Rot. Bonds4

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

(3R)-4,4-difluoro-3-(phenylmethoxymethyl)piperidine (PubChem CID 164633313) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is (3R)-4,4-difluoro-3-(phenylmethoxymethyl)piperidine.

Molecular Properties

Compound Name(3R)-4,4-difluoro-3-(phenylmethoxymethyl)piperidine
PubChem CID164633313
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name(3R)-4,4-difluoro-3-(phenylmethoxymethyl)piperidine
SMILESFC1(F)CCNC[C@@H]1COCc1ccccc1
InChIInChI=1S/C13H17F2NO/c14-13(15)6-7-16-8-12(13)10-17-9-11-4-2-1-3-5-11/h1-5,12,16H,6-10H2/t12-/m1/s1
InChIKeyQAHDTGBKOVMAQL-GFCCVEGCSA-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 (3R)-4,4-difluoro-3-(phenylmethoxymethyl)piperidine?
The IUPAC name of (3R)-4,4-difluoro-3-(phenylmethoxymethyl)piperidine (CID 164633313) is (3R)-4,4-difluoro-3-(phenylmethoxymethyl)piperidine.
What is the SMILES notation for (3R)-4,4-difluoro-3-(phenylmethoxymethyl)piperidine?
The canonical SMILES for (3R)-4,4-difluoro-3-(phenylmethoxymethyl)piperidine is FC1(F)CCNC[C@@H]1COCc1ccccc1.
What is the InChIKey of (3R)-4,4-difluoro-3-(phenylmethoxymethyl)piperidine?
The InChIKey is QAHDTGBKOVMAQL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-13(15)6-7-16-8-12(13)10-17-9-11-4-2-1-3-5-11/h1-5,12,16H,6-10H2/t12-/m1/s1.
What are the key properties of (3R)-4,4-difluoro-3-(phenylmethoxymethyl)piperidine?
(3R)-4,4-difluoro-3-(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 (3R)-4,4-difluoro-3-(phenylmethoxymethyl)piperidine is sourced from PubChem (CID 164633313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).