[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol

C11H20F2N2O — CID 123354092

IUPAC[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol
SMILESCN1CCC(N2CC(F)(F)CC2CO)CC1
InChIInChI=1S/C11H20F2N2O/c1-14-4-2-9(3-5-14)15-8-11(12,13)6-10(15)7-16/h9-10,16H,2-8H2,1H3
InChIKeyIURYMVMITUQFCG-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.78
Rot. Bonds2

About [4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol

[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 123354092) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is [4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID123354092
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol
SMILESCN1CCC(N2CC(F)(F)CC2CO)CC1
InChIInChI=1S/C11H20F2N2O/c1-14-4-2-9(3-5-14)15-8-11(12,13)6-10(15)7-16/h9-10,16H,2-8H2,1H3
InChIKeyIURYMVMITUQFCG-UHFFFAOYSA-N
XLogP0.78
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol
CID 60002546
[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol
CID 72207988
[(2R)-4,4-Difluoro-1-methyl-pyrrolidin-2-yl]methanol
CID 72619538
[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol
CID 118303271
[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol
CID 118303277
1-[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]ethanol
CID 118303296
4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidine
CID 118303310
1-[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]ethanol
CID 118303404
[(2S)-1-ethyl-4,4-difluoropyrrolidin-2-yl]methanol
CID 118669648
(4,4-Difluoro-1-(piperidin-4-yl)pyrrolidin-2-yl)methanol
CID 121204083
[4-Fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol
CID 123863252
1-(4,4-Difluoro-1-piperidin-4-ylpyrrolidin-2-yl)ethanol
CID 124000499

Frequently Asked Questions

What is the IUPAC name of [4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol (CID 123354092) is [4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol is CN1CCC(N2CC(F)(F)CC2CO)CC1.
What is the InChIKey of [4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is IURYMVMITUQFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-14-4-2-9(3-5-14)15-8-11(12,13)6-10(15)7-16/h9-10,16H,2-8H2,1H3.
What are the key properties of [4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol?
[4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 234.29 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 123354092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).