(5,5-difluoro-1-methylpiperidin-2-yl)methanol

C7H13F2NO — CID 55296927

IUPAC(5,5-difluoro-1-methylpiperidin-2-yl)methanol
SMILESCN1CC(F)(F)CCC1CO
InChIInChI=1S/C7H13F2NO/c1-10-5-7(8,9)3-2-6(10)4-11/h6,11H,2-5H2,1H3
InChIKeyUCUPOSMQSAWCLC-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.71
Rot. Bonds1

About (5,5-difluoro-1-methylpiperidin-2-yl)methanol

(5,5-difluoro-1-methylpiperidin-2-yl)methanol (PubChem CID 55296927) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is (5,5-difluoro-1-methylpiperidin-2-yl)methanol.

Molecular Properties

Compound Name(5,5-difluoro-1-methylpiperidin-2-yl)methanol
PubChem CID55296927
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name(5,5-difluoro-1-methylpiperidin-2-yl)methanol
SMILESCN1CC(F)(F)CCC1CO
InChIInChI=1S/C7H13F2NO/c1-10-5-7(8,9)3-2-6(10)4-11/h6,11H,2-5H2,1H3
InChIKeyUCUPOSMQSAWCLC-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-2-piperidinemethanol
CID 89394
(R)-(1-Methylpiperidin-2-yl)methanol
CID 853004
2-hydroxymethyl-N,N-dimethylpiperidinium
CID 193430
(2S)-3,3,3-trifluoro-2-piperidin-1-ylpropan-1-ol
CID 135700155
2,2-Difluoro-2-(1-methylpiperidin-2-yl)ethanol
CID 22124446
[1-(2,2,2-Trifluoroethyl)piperidin-2-yl]methanol
CID 60774899
[1-(2,2-Difluoroethyl)piperidin-2-yl]methanol
CID 62022333
(1-Tert-butyl-4,4-difluoropiperidin-2-yl)methanol
CID 89785271
2-[2-(Trifluoromethyl)piperidin-1-yl]ethanol
CID 91031576
[(2S)-5,5-difluoropiperidin-2-yl]methanol
CID 97357063
(4,4-Difluoro-1-methylpiperidin-2-YL)methanol
CID 117891667
(3S,4S,6R)-4-fluoro-1,6-dimethylpiperidin-3-ol
CID 126671032

Frequently Asked Questions

What is the IUPAC name of (5,5-difluoro-1-methylpiperidin-2-yl)methanol?
The IUPAC name of (5,5-difluoro-1-methylpiperidin-2-yl)methanol (CID 55296927) is (5,5-difluoro-1-methylpiperidin-2-yl)methanol.
What is the SMILES notation for (5,5-difluoro-1-methylpiperidin-2-yl)methanol?
The canonical SMILES for (5,5-difluoro-1-methylpiperidin-2-yl)methanol is CN1CC(F)(F)CCC1CO.
What is the InChIKey of (5,5-difluoro-1-methylpiperidin-2-yl)methanol?
The InChIKey is UCUPOSMQSAWCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-10-5-7(8,9)3-2-6(10)4-11/h6,11H,2-5H2,1H3.
What are the key properties of (5,5-difluoro-1-methylpiperidin-2-yl)methanol?
(5,5-difluoro-1-methylpiperidin-2-yl)methanol has a molecular weight of 165.18 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-difluoro-1-methylpiperidin-2-yl)methanol is sourced from PubChem (CID 55296927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).