4-(3,3-difluorobutyl)piperidin-4-ol

C9H17F2NO — CID 90419711

IUPAC4-(3,3-difluorobutyl)piperidin-4-ol
SMILESCC(F)(F)CCC1(O)CCNCC1
InChIInChI=1S/C9H17F2NO/c1-8(10,11)2-3-9(13)4-6-12-7-5-9/h12-13H,2-7H2,1H3
InChIKeyVCKKJWDIRHAQEI-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.54
Rot. Bonds3

About 4-(3,3-difluorobutyl)piperidin-4-ol

4-(3,3-difluorobutyl)piperidin-4-ol (PubChem CID 90419711) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4-(3,3-difluorobutyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(3,3-difluorobutyl)piperidin-4-ol
PubChem CID90419711
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4-(3,3-difluorobutyl)piperidin-4-ol
SMILESCC(F)(F)CCC1(O)CCNCC1
InChIInChI=1S/C9H17F2NO/c1-8(10,11)2-3-9(13)4-6-12-7-5-9/h12-13H,2-7H2,1H3
InChIKeyVCKKJWDIRHAQEI-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(3,3-difluorobutyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorobutyl)piperidin-4-ol?
The IUPAC name of 4-(3,3-difluorobutyl)piperidin-4-ol (CID 90419711) is 4-(3,3-difluorobutyl)piperidin-4-ol.
What is the SMILES notation for 4-(3,3-difluorobutyl)piperidin-4-ol?
The canonical SMILES for 4-(3,3-difluorobutyl)piperidin-4-ol is CC(F)(F)CCC1(O)CCNCC1.
What is the InChIKey of 4-(3,3-difluorobutyl)piperidin-4-ol?
The InChIKey is VCKKJWDIRHAQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-8(10,11)2-3-9(13)4-6-12-7-5-9/h12-13H,2-7H2,1H3.
What are the key properties of 4-(3,3-difluorobutyl)piperidin-4-ol?
4-(3,3-difluorobutyl)piperidin-4-ol has a molecular weight of 193.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorobutyl)piperidin-4-ol is sourced from PubChem (CID 90419711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).