(5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanol

C10H19F2NO — CID 171531582

IUPAC(5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanol
SMILESCC(C)C1N(C)C(CO)CCC1(F)F
InChIInChI=1S/C10H19F2NO/c1-7(2)9-10(11,12)5-4-8(6-14)13(9)3/h7-9,14H,4-6H2,1-3H3
InChIKeyMTJQAKIZYNHPTO-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.73
Rot. Bonds2

About (5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanol

(5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanol (PubChem CID 171531582) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is (5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanol.

Molecular Properties

Compound Name(5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanol
PubChem CID171531582
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name(5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanol
SMILESCC(C)C1N(C)C(CO)CCC1(F)F
InChIInChI=1S/C10H19F2NO/c1-7(2)9-10(11,12)5-4-8(6-14)13(9)3/h7-9,14H,4-6H2,1-3H3
InChIKeyMTJQAKIZYNHPTO-UHFFFAOYSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(Trifluoromethyl)-2-undecylpiperidin-4-yl]propan-1-ol
CID 67741096
2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethanol
CID 89533421
2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethanol
CID 89533422
(1-Tert-butyl-4,4-difluoropiperidin-2-yl)methanol
CID 89785271
2-[2-[1-(2,2-Difluorobutyl)piperidin-4-yl]cyclopropyl]ethanol
CID 123553754
2-[2-[1-(2,2-Difluoropropyl)piperidin-4-yl]cyclopropyl]ethanol
CID 123654367
[(2S,3R)-5,5-difluoro-1,3-dimethylpiperidin-2-yl]methanol
CID 138624277
2-[(2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethanol;ethane
CID 145568688
2-[(2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethanol
CID 145568700
2-(4,4-Difluoro-1-propan-2-ylpiperidin-3-yl)ethanol
CID 153592566
(5,5-Difluoro-1,3-dimethylpiperidin-2-yl)methanol
CID 167042420
[(1R,5S)-8-methyl-8-(2,2,2-trifluoroethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]methanol
CID 169859693

Frequently Asked Questions

What is the IUPAC name of (5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanol?
The IUPAC name of (5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanol (CID 171531582) is (5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanol.
What is the SMILES notation for (5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanol?
The canonical SMILES for (5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanol is CC(C)C1N(C)C(CO)CCC1(F)F.
What is the InChIKey of (5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanol?
The InChIKey is MTJQAKIZYNHPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-7(2)9-10(11,12)5-4-8(6-14)13(9)3/h7-9,14H,4-6H2,1-3H3.
What are the key properties of (5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanol?
(5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanol has a molecular weight of 207.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanol is sourced from PubChem (CID 171531582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).