(5,5-difluoro-2-methylpiperidin-3-yl)methanol

C7H13F2NO — CID 139343290

IUPAC(5,5-difluoro-2-methylpiperidin-3-yl)methanol
SMILESCC1NCC(F)(F)CC1CO
InChIInChI=1S/C7H13F2NO/c1-5-6(3-11)2-7(8,9)4-10-5/h5-6,10-11H,2-4H2,1H3
InChIKeyKPXKBHAVQSQMRZ-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.61
Rot. Bonds1

About (5,5-difluoro-2-methylpiperidin-3-yl)methanol

(5,5-difluoro-2-methylpiperidin-3-yl)methanol (PubChem CID 139343290) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is (5,5-difluoro-2-methylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name(5,5-difluoro-2-methylpiperidin-3-yl)methanol
PubChem CID139343290
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name(5,5-difluoro-2-methylpiperidin-3-yl)methanol
SMILESCC1NCC(F)(F)CC1CO
InChIInChI=1S/C7H13F2NO/c1-5-6(3-11)2-7(8,9)4-10-5/h5-6,10-11H,2-4H2,1H3
InChIKeyKPXKBHAVQSQMRZ-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,5-difluoro-2-methylpiperidin-3-yl)methanol?
The IUPAC name of (5,5-difluoro-2-methylpiperidin-3-yl)methanol (CID 139343290) is (5,5-difluoro-2-methylpiperidin-3-yl)methanol.
What is the SMILES notation for (5,5-difluoro-2-methylpiperidin-3-yl)methanol?
The canonical SMILES for (5,5-difluoro-2-methylpiperidin-3-yl)methanol is CC1NCC(F)(F)CC1CO.
What is the InChIKey of (5,5-difluoro-2-methylpiperidin-3-yl)methanol?
The InChIKey is KPXKBHAVQSQMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-5-6(3-11)2-7(8,9)4-10-5/h5-6,10-11H,2-4H2,1H3.
What are the key properties of (5,5-difluoro-2-methylpiperidin-3-yl)methanol?
(5,5-difluoro-2-methylpiperidin-3-yl)methanol has a molecular weight of 165.18 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-difluoro-2-methylpiperidin-3-yl)methanol is sourced from PubChem (CID 139343290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).