2-(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)propan-2-ol

C12H22F2N2O — CID 118295186

IUPAC2-(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)propan-2-ol
SMILESCC(C)(O)C1CC(F)(F)CN1C1CCNCC1
InChIInChI=1S/C12H22F2N2O/c1-11(2,17)10-7-12(13,14)8-16(10)9-3-5-15-6-4-9/h9-10,15,17H,3-8H2,1-2H3
InChIKeyIKGCGGJGBXNQBD-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.22
Rot. Bonds2

About 2-(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)propan-2-ol

2-(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)propan-2-ol (PubChem CID 118295186) has the molecular formula C12H22F2N2O and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)propan-2-ol
PubChem CID118295186
Molecular FormulaC12H22F2N2O
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name2-(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)propan-2-ol
SMILESCC(C)(O)C1CC(F)(F)CN1C1CCNCC1
InChIInChI=1S/C12H22F2N2O/c1-11(2,17)10-7-12(13,14)8-16(10)9-3-5-15-6-4-9/h9-10,15,17H,3-8H2,1-2H3
InChIKeyIKGCGGJGBXNQBD-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol
CID 134339327
2-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol
CID 134341384
4-(3,3-difluoropyrrolidin-1-yl)piperidine
CID 53488020
4,4-difluoro-2-(2-fluoropropan-2-yl)-1-methylpyrrolidine
CID 176557306
tert-butyl 2-tert-butyl-4,4-difluoropyrrolidine-1-carboxylate
CID 58395160
tert-butyl (3S)-3-methyl-4-piperidin-4-ylpiperazine-1-carboxylate
CID 86700515
2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 61265351
tert-butyl (3aS,8aR)-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine-2-carboxylate
CID 71306003
(3S)-1-piperidin-4-yl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 129320792
3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one
CID 116559668
tert-butyl (2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 4-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methanol;[(2R)-4,4-difluoropyrrolidin-2-yl]methanol
CID 159903244
1-(azepan-4-yl)-3-methylazetidin-3-ol
CID 131182366

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)propan-2-ol?
The IUPAC name of 2-(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)propan-2-ol (CID 118295186) is 2-(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)propan-2-ol.
What is the SMILES notation for 2-(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)propan-2-ol?
The canonical SMILES for 2-(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)propan-2-ol is CC(C)(O)C1CC(F)(F)CN1C1CCNCC1.
What is the InChIKey of 2-(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)propan-2-ol?
The InChIKey is IKGCGGJGBXNQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O/c1-11(2,17)10-7-12(13,14)8-16(10)9-3-5-15-6-4-9/h9-10,15,17H,3-8H2,1-2H3.
What are the key properties of 2-(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)propan-2-ol?
2-(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)propan-2-ol has a molecular weight of 248.32 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl)propan-2-ol is sourced from PubChem (CID 118295186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).