1-(2,2-difluoro-2-phenylethyl)-2-pyrrolidin-2-ylpiperidine

C17H24F2N2 — CID 116790042

IUPAC1-(2,2-difluoro-2-phenylethyl)-2-pyrrolidin-2-ylpiperidine
SMILESFC(F)(CN1CCCCC1C1CCCN1)c1ccccc1
InChIInChI=1S/C17H24F2N2/c18-17(19,14-7-2-1-3-8-14)13-21-12-5-4-10-16(21)15-9-6-11-20-15/h1-3,7-8,15-16,20H,4-6,9-13H2
InChIKeyWZSZQLIJEMKNLA-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.38
Rot. Bonds4

About 1-(2,2-difluoro-2-phenylethyl)-2-pyrrolidin-2-ylpiperidine

1-(2,2-difluoro-2-phenylethyl)-2-pyrrolidin-2-ylpiperidine (PubChem CID 116790042) has the molecular formula C17H24F2N2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(2,2-difluoro-2-phenylethyl)-2-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(2,2-difluoro-2-phenylethyl)-2-pyrrolidin-2-ylpiperidine
PubChem CID116790042
Molecular FormulaC17H24F2N2
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(2,2-difluoro-2-phenylethyl)-2-pyrrolidin-2-ylpiperidine
SMILESFC(F)(CN1CCCCC1C1CCCN1)c1ccccc1
InChIInChI=1S/C17H24F2N2/c18-17(19,14-7-2-1-3-8-14)13-21-12-5-4-10-16(21)15-9-6-11-20-15/h1-3,7-8,15-16,20H,4-6,9-13H2
InChIKeyWZSZQLIJEMKNLA-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine
CID 124710332
1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine
CID 116790034
(1S,7R)-2-benzyl-2,8-diazabicyclo[5.5.0]dodecane
CID 178143612
1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256349
1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine
CID 62273352
1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 65477853
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol
CID 114338111
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine
CID 116789649
1-(3-phenylprop-2-ynyl)-2-pyrrolidin-2-ylpyrrolidine
CID 62339543
(3aR,8aR)-4-benzyl-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine;ethane;molecular hydrogen
CID 178143543
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-pyrrolidin-2-ylpiperidine
CID 79228410
1-(2-fluoroethyl)-2-pyrrolidin-2-ylpyrrolidine
CID 80693813

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-2-phenylethyl)-2-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(2,2-difluoro-2-phenylethyl)-2-pyrrolidin-2-ylpiperidine (CID 116790042) is 1-(2,2-difluoro-2-phenylethyl)-2-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(2,2-difluoro-2-phenylethyl)-2-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(2,2-difluoro-2-phenylethyl)-2-pyrrolidin-2-ylpiperidine is FC(F)(CN1CCCCC1C1CCCN1)c1ccccc1.
What is the InChIKey of 1-(2,2-difluoro-2-phenylethyl)-2-pyrrolidin-2-ylpiperidine?
The InChIKey is WZSZQLIJEMKNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2/c18-17(19,14-7-2-1-3-8-14)13-21-12-5-4-10-16(21)15-9-6-11-20-15/h1-3,7-8,15-16,20H,4-6,9-13H2.
What are the key properties of 1-(2,2-difluoro-2-phenylethyl)-2-pyrrolidin-2-ylpiperidine?
1-(2,2-difluoro-2-phenylethyl)-2-pyrrolidin-2-ylpiperidine has a molecular weight of 294.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-2-phenylethyl)-2-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 116790042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).