(3,3-difluoro-4-propan-2-ylpiperidin-4-yl)methanol

C9H17F2NO — CID 163379760

IUPAC(3,3-difluoro-4-propan-2-ylpiperidin-4-yl)methanol
SMILESCC(C)C1(CO)CCNCC1(F)F
InChIInChI=1S/C9H17F2NO/c1-7(2)8(6-13)3-4-12-5-9(8,10)11/h7,12-13H,3-6H2,1-2H3
InChIKeyVHAIWJSTJLTGTM-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.25
Rot. Bonds2

About (3,3-difluoro-4-propan-2-ylpiperidin-4-yl)methanol

(3,3-difluoro-4-propan-2-ylpiperidin-4-yl)methanol (PubChem CID 163379760) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is (3,3-difluoro-4-propan-2-ylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(3,3-difluoro-4-propan-2-ylpiperidin-4-yl)methanol
PubChem CID163379760
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(3,3-difluoro-4-propan-2-ylpiperidin-4-yl)methanol
SMILESCC(C)C1(CO)CCNCC1(F)F
InChIInChI=1S/C9H17F2NO/c1-7(2)8(6-13)3-4-12-5-9(8,10)11/h7,12-13H,3-6H2,1-2H3
InChIKeyVHAIWJSTJLTGTM-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-4-propan-2-ylpiperidin-4-yl)methanol?
The IUPAC name of (3,3-difluoro-4-propan-2-ylpiperidin-4-yl)methanol (CID 163379760) is (3,3-difluoro-4-propan-2-ylpiperidin-4-yl)methanol.
What is the SMILES notation for (3,3-difluoro-4-propan-2-ylpiperidin-4-yl)methanol?
The canonical SMILES for (3,3-difluoro-4-propan-2-ylpiperidin-4-yl)methanol is CC(C)C1(CO)CCNCC1(F)F.
What is the InChIKey of (3,3-difluoro-4-propan-2-ylpiperidin-4-yl)methanol?
The InChIKey is VHAIWJSTJLTGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(2)8(6-13)3-4-12-5-9(8,10)11/h7,12-13H,3-6H2,1-2H3.
What are the key properties of (3,3-difluoro-4-propan-2-ylpiperidin-4-yl)methanol?
(3,3-difluoro-4-propan-2-ylpiperidin-4-yl)methanol has a molecular weight of 193.24 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-4-propan-2-ylpiperidin-4-yl)methanol is sourced from PubChem (CID 163379760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).