3-(difluoromethyl)-1-propylpiperidin-3-ol

C9H17F2NO — CID 175738596

IUPAC3-(difluoromethyl)-1-propylpiperidin-3-ol
SMILESCCCN1CCCC(O)(C(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-2-5-12-6-3-4-9(13,7-12)8(10)11/h8,13H,2-7H2,1H3
InChIKeyQWXMXWYOTJVDSA-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.49
Rot. Bonds3

About 3-(difluoromethyl)-1-propylpiperidin-3-ol

3-(difluoromethyl)-1-propylpiperidin-3-ol (PubChem CID 175738596) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-propylpiperidin-3-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-1-propylpiperidin-3-ol
PubChem CID175738596
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3-(difluoromethyl)-1-propylpiperidin-3-ol
SMILESCCCN1CCCC(O)(C(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-2-5-12-6-3-4-9(13,7-12)8(10)11/h8,13H,2-7H2,1H3
InChIKeyQWXMXWYOTJVDSA-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-propylpiperidin-3-ol?
The IUPAC name of 3-(difluoromethyl)-1-propylpiperidin-3-ol (CID 175738596) is 3-(difluoromethyl)-1-propylpiperidin-3-ol.
What is the SMILES notation for 3-(difluoromethyl)-1-propylpiperidin-3-ol?
The canonical SMILES for 3-(difluoromethyl)-1-propylpiperidin-3-ol is CCCN1CCCC(O)(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)-1-propylpiperidin-3-ol?
The InChIKey is QWXMXWYOTJVDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-2-5-12-6-3-4-9(13,7-12)8(10)11/h8,13H,2-7H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-propylpiperidin-3-ol?
3-(difluoromethyl)-1-propylpiperidin-3-ol has a molecular weight of 193.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-propylpiperidin-3-ol is sourced from PubChem (CID 175738596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).