1-(2,2-difluoro-2-phenylethyl)piperidine

C13H17F2N — CID 70652192

IUPAC1-(2,2-difluoro-2-phenylethyl)piperidine
SMILESFC(F)(CN1CCCCC1)c1ccccc1
InChIInChI=1S/C13H17F2N/c14-13(15,12-7-3-1-4-8-12)11-16-9-5-2-6-10-16/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyYANDTDRTMGPCSW-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.26
Rot. Bonds3

About 1-(2,2-difluoro-2-phenylethyl)piperidine

1-(2,2-difluoro-2-phenylethyl)piperidine (PubChem CID 70652192) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-(2,2-difluoro-2-phenylethyl)piperidine.

Molecular Properties

Compound Name1-(2,2-difluoro-2-phenylethyl)piperidine
PubChem CID70652192
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-(2,2-difluoro-2-phenylethyl)piperidine
SMILESFC(F)(CN1CCCCC1)c1ccccc1
InChIInChI=1S/C13H17F2N/c14-13(15,12-7-3-1-4-8-12)11-16-9-5-2-6-10-16/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyYANDTDRTMGPCSW-UHFFFAOYSA-N
XLogP3.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromoethyl)-4-(2,2-difluoro-2-phenylethyl)piperazine
CID 116790576
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone
CID 116789445
1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidin-3-ol
CID 116790405
3-[4-(2,2-difluoro-2-phenylethyl)piperazin-1-yl]propanoic acid
CID 116789913
4-(1-bromoethyl)-1-(2,2-difluoro-2-phenylethyl)piperidine
CID 106838270
2-[4-(2,2-difluoro-2-phenylethyl)piperazin-1-yl]-2-methylpropanenitrile
CID 116789396
1-(2,2-difluoro-2-phenylethyl)-3-ethyl-1,4-diazepane
CID 116790827
2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 64797987
1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine
CID 116790034
4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine
CID 116790596
1-(2,2-difluoro-2-phenylethyl)-4-methylpiperidine-4-carbothioamide
CID 107161472
1-(2,2-difluoro-2-phenylethyl)-3-propyl-1,4-diazepane
CID 116790823

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-2-phenylethyl)piperidine?
The IUPAC name of 1-(2,2-difluoro-2-phenylethyl)piperidine (CID 70652192) is 1-(2,2-difluoro-2-phenylethyl)piperidine.
What is the SMILES notation for 1-(2,2-difluoro-2-phenylethyl)piperidine?
The canonical SMILES for 1-(2,2-difluoro-2-phenylethyl)piperidine is FC(F)(CN1CCCCC1)c1ccccc1.
What is the InChIKey of 1-(2,2-difluoro-2-phenylethyl)piperidine?
The InChIKey is YANDTDRTMGPCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c14-13(15,12-7-3-1-4-8-12)11-16-9-5-2-6-10-16/h1,3-4,7-8H,2,5-6,9-11H2.
What are the key properties of 1-(2,2-difluoro-2-phenylethyl)piperidine?
1-(2,2-difluoro-2-phenylethyl)piperidine has a molecular weight of 225.28 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-2-phenylethyl)piperidine is sourced from PubChem (CID 70652192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).