3,3-difluoro-4-pyrrolidin-1-ylpiperidine

C9H16F2N2 — CID 122432569

IUPAC3,3-difluoro-4-pyrrolidin-1-ylpiperidine
SMILESFC1(F)CNCCC1N1CCCC1
InChIInChI=1S/C9H16F2N2/c10-9(11)7-12-4-3-8(9)13-5-1-2-6-13/h8,12H,1-7H2
InChIKeyDFUZOBULEGIJLU-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.08
Rot. Bonds1

About 3,3-difluoro-4-pyrrolidin-1-ylpiperidine

3,3-difluoro-4-pyrrolidin-1-ylpiperidine (PubChem CID 122432569) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3,3-difluoro-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-4-pyrrolidin-1-ylpiperidine
PubChem CID122432569
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name3,3-difluoro-4-pyrrolidin-1-ylpiperidine
SMILESFC1(F)CNCCC1N1CCCC1
InChIInChI=1S/C9H16F2N2/c10-9(11)7-12-4-3-8(9)13-5-1-2-6-13/h8,12H,1-7H2
InChIKeyDFUZOBULEGIJLU-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-4-pyrrolidin-1-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-Pyrrolidinyl)piperidine
CID 78703
1-(Pyrrolidin-3-yl)piperidine
CID 23009617
1-(2,2,2-Trifluoroethyl)piperidin-4-amine
CID 16228722
1-(2,2-Difluoroethyl)-4-piperidinamine
CID 25252389
2-(2-Pyrrolidin-1-ylethyl)piperidine
CID 231871
8-(2,2,2-Trifluoroethyl)-8-azabicyclo(3.2.1)octan-3-amine dihydrochloride
CID 18919606
4,4-Difluoro-1-(piperidin-4-yl)piperidine
CID 53418774
3-(4,4-Difluoropiperidin-1-yl)propan-1-amine
CID 66570737
(1R,3R,5S)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride
CID 70194578
4-(1-Pyrrolidinyl)piperidine dihydrochloride
CID 21115585
N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43607421
N-(2,2-difluoroethyl)-1-methylpiperidin-4-amine
CID 50896642

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 3,3-difluoro-4-pyrrolidin-1-ylpiperidine (CID 122432569) is 3,3-difluoro-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 3,3-difluoro-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 3,3-difluoro-4-pyrrolidin-1-ylpiperidine is FC1(F)CNCCC1N1CCCC1.
What is the InChIKey of 3,3-difluoro-4-pyrrolidin-1-ylpiperidine?
The InChIKey is DFUZOBULEGIJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c10-9(11)7-12-4-3-8(9)13-5-1-2-6-13/h8,12H,1-7H2.
What are the key properties of 3,3-difluoro-4-pyrrolidin-1-ylpiperidine?
3,3-difluoro-4-pyrrolidin-1-ylpiperidine has a molecular weight of 190.24 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 122432569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).