(4,4-difluoro-5-methylpiperidin-3-yl)methanol

C7H13F2NO — CID 139343534

IUPAC(4,4-difluoro-5-methylpiperidin-3-yl)methanol
SMILESCC1CNCC(CO)C1(F)F
InChIInChI=1S/C7H13F2NO/c1-5-2-10-3-6(4-11)7(5,8)9/h5-6,10-11H,2-4H2,1H3
InChIKeyRCVSGBVOCNGJOD-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.47
Rot. Bonds1

About (4,4-difluoro-5-methylpiperidin-3-yl)methanol

(4,4-difluoro-5-methylpiperidin-3-yl)methanol (PubChem CID 139343534) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is (4,4-difluoro-5-methylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name(4,4-difluoro-5-methylpiperidin-3-yl)methanol
PubChem CID139343534
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name(4,4-difluoro-5-methylpiperidin-3-yl)methanol
SMILESCC1CNCC(CO)C1(F)F
InChIInChI=1S/C7H13F2NO/c1-5-2-10-3-6(4-11)7(5,8)9/h5-6,10-11H,2-4H2,1H3
InChIKeyRCVSGBVOCNGJOD-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-5-methylpiperidin-3-yl)methanol?
The IUPAC name of (4,4-difluoro-5-methylpiperidin-3-yl)methanol (CID 139343534) is (4,4-difluoro-5-methylpiperidin-3-yl)methanol.
What is the SMILES notation for (4,4-difluoro-5-methylpiperidin-3-yl)methanol?
The canonical SMILES for (4,4-difluoro-5-methylpiperidin-3-yl)methanol is CC1CNCC(CO)C1(F)F.
What is the InChIKey of (4,4-difluoro-5-methylpiperidin-3-yl)methanol?
The InChIKey is RCVSGBVOCNGJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-5-2-10-3-6(4-11)7(5,8)9/h5-6,10-11H,2-4H2,1H3.
What are the key properties of (4,4-difluoro-5-methylpiperidin-3-yl)methanol?
(4,4-difluoro-5-methylpiperidin-3-yl)methanol has a molecular weight of 165.18 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-5-methylpiperidin-3-yl)methanol is sourced from PubChem (CID 139343534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).