3-(2,2-difluoro-2-phenylethyl)piperidine

C13H17F2N — CID 116790999

IUPAC3-(2,2-difluoro-2-phenylethyl)piperidine
SMILESFC(F)(CC1CCCNC1)c1ccccc1
InChIInChI=1S/C13H17F2N/c14-13(15,12-6-2-1-3-7-12)9-11-5-4-8-16-10-11/h1-3,6-7,11,16H,4-5,8-10H2
InChIKeyNJAJBUOTYRJLLE-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.17
Rot. Bonds3

About 3-(2,2-difluoro-2-phenylethyl)piperidine

3-(2,2-difluoro-2-phenylethyl)piperidine (PubChem CID 116790999) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 3-(2,2-difluoro-2-phenylethyl)piperidine.

Molecular Properties

Compound Name3-(2,2-difluoro-2-phenylethyl)piperidine
PubChem CID116790999
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name3-(2,2-difluoro-2-phenylethyl)piperidine
SMILESFC(F)(CC1CCCNC1)c1ccccc1
InChIInChI=1S/C13H17F2N/c14-13(15,12-6-2-1-3-7-12)9-11-5-4-8-16-10-11/h1-3,6-7,11,16H,4-5,8-10H2
InChIKeyNJAJBUOTYRJLLE-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 23036453
4-(2-fluoro-1-piperidin-3-ylpropan-2-yl)phenol
CID 105499355
2-methyl-1-phenyl-3-piperidin-3-ylpropan-2-ol
CID 105493526
N-benzyl-1,1,1-trifluoro-N-[[(3R)-piperidin-3-yl]methyl]methanamine
CID 97168574
3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine
CID 116840188
3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine
CID 84701353
3-(2,2-dimethylpropyl)piperidine
CID 21041533
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
3,3-difluoro-4-piperidin-3-ylbutan-2-ol
CID 105446942
N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 62313468
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoro-2-phenylethyl)piperidine?
The IUPAC name of 3-(2,2-difluoro-2-phenylethyl)piperidine (CID 116790999) is 3-(2,2-difluoro-2-phenylethyl)piperidine.
What is the SMILES notation for 3-(2,2-difluoro-2-phenylethyl)piperidine?
The canonical SMILES for 3-(2,2-difluoro-2-phenylethyl)piperidine is FC(F)(CC1CCCNC1)c1ccccc1.
What is the InChIKey of 3-(2,2-difluoro-2-phenylethyl)piperidine?
The InChIKey is NJAJBUOTYRJLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c14-13(15,12-6-2-1-3-7-12)9-11-5-4-8-16-10-11/h1-3,6-7,11,16H,4-5,8-10H2.
What are the key properties of 3-(2,2-difluoro-2-phenylethyl)piperidine?
3-(2,2-difluoro-2-phenylethyl)piperidine has a molecular weight of 225.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoro-2-phenylethyl)piperidine is sourced from PubChem (CID 116790999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).