4-(difluoromethyl)-1-methylpiperidin-4-ol

C7H13F2NO — CID 80604972

IUPAC4-(difluoromethyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(C(F)F)CC1
InChIInChI=1S/C7H13F2NO/c1-10-4-2-7(11,3-5-10)6(8)9/h6,11H,2-5H2,1H3
InChIKeyFPMYSJDJOMENJX-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.71
Rot. Bonds1

About 4-(difluoromethyl)-1-methylpiperidin-4-ol

4-(difluoromethyl)-1-methylpiperidin-4-ol (PubChem CID 80604972) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(difluoromethyl)-1-methylpiperidin-4-ol
PubChem CID80604972
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name4-(difluoromethyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(C(F)F)CC1
InChIInChI=1S/C7H13F2NO/c1-10-4-2-7(11,3-5-10)6(8)9/h6,11H,2-5H2,1H3
InChIKeyFPMYSJDJOMENJX-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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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-methylpiperidin-4-ol?
The IUPAC name of 4-(difluoromethyl)-1-methylpiperidin-4-ol (CID 80604972) is 4-(difluoromethyl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(difluoromethyl)-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(difluoromethyl)-1-methylpiperidin-4-ol is CN1CCC(O)(C(F)F)CC1.
What is the InChIKey of 4-(difluoromethyl)-1-methylpiperidin-4-ol?
The InChIKey is FPMYSJDJOMENJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-10-4-2-7(11,3-5-10)6(8)9/h6,11H,2-5H2,1H3.
What are the key properties of 4-(difluoromethyl)-1-methylpiperidin-4-ol?
4-(difluoromethyl)-1-methylpiperidin-4-ol 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 4-(difluoromethyl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 80604972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).