1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine

C17H24F2N2 — CID 116790034

IUPAC1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine
SMILESFC(F)(CN1CCCC(C2CCCN2)C1)c1ccccc1
InChIInChI=1S/C17H24F2N2/c18-17(19,15-7-2-1-3-8-15)13-21-11-5-6-14(12-21)16-9-4-10-20-16/h1-3,7-8,14,16,20H,4-6,9-13H2
InChIKeyUEBDGJGKMWDUIM-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.24
Rot. Bonds4

About 1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine

1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine (PubChem CID 116790034) has the molecular formula C17H24F2N2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine
PubChem CID116790034
Molecular FormulaC17H24F2N2
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine
SMILESFC(F)(CN1CCCC(C2CCCN2)C1)c1ccccc1
InChIInChI=1S/C17H24F2N2/c18-17(19,15-7-2-1-3-8-15)13-21-11-5-6-14(12-21)16-9-4-10-20-16/h1-3,7-8,14,16,20H,4-6,9-13H2
InChIKeyUEBDGJGKMWDUIM-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine
CID 115328459
1-(2,2-difluoro-2-phenylethyl)-3-ethyl-1,4-diazepane
CID 116790827
1-(2,2-difluoro-2-phenylethyl)-2-pyrrolidin-2-ylpiperidine
CID 116790042
1-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2-phenylpropan-2-ol
CID 102682067
1-(2,2-difluoro-2-phenylethyl)-3-propyl-1,4-diazepane
CID 116790823
1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine
CID 61101148
2-phenyl-3-(3-pyrrolidin-2-ylpiperidin-1-yl)propanenitrile
CID 64538266
1-(2,2-difluoro-2-phenylethyl)piperidine
CID 70652192
6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 11356376
3-tert-butyl-1-(2,2-difluoro-2-phenylethyl)piperazine
CID 116790757
6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;dihydrochloride
CID 44890942
1-(2-phenylprop-2-enyl)-4-pyrrolidin-2-ylpiperidine
CID 115328480

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine (CID 116790034) is 1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine is FC(F)(CN1CCCC(C2CCCN2)C1)c1ccccc1.
What is the InChIKey of 1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine?
The InChIKey is UEBDGJGKMWDUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2/c18-17(19,15-7-2-1-3-8-15)13-21-11-5-6-14(12-21)16-9-4-10-20-16/h1-3,7-8,14,16,20H,4-6,9-13H2.
What are the key properties of 1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine?
1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine has a molecular weight of 294.39 g/mol, XLogP of 3.24, 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)-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 116790034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).