4-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one

C10H16F3NO2 — CID 79192273

IUPAC4-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one
SMILESO=C(CCCO)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)8-3-5-14(6-4-8)9(16)2-1-7-15/h8,15H,1-7H2
InChIKeyTWJNHGSNMSAWAC-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.56
Rot. Bonds3

About 4-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one

4-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one (PubChem CID 79192273) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 4-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one
PubChem CID79192273
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name4-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one
SMILESO=C(CCCO)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)8-3-5-14(6-4-8)9(16)2-1-7-15/h8,15H,1-7H2
InChIKeyTWJNHGSNMSAWAC-UHFFFAOYSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one 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-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one (CID 79192273) is 4-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one is O=C(CCCO)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one?
The InChIKey is TWJNHGSNMSAWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)8-3-5-14(6-4-8)9(16)2-1-7-15/h8,15H,1-7H2.
What are the key properties of 4-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one?
4-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one has a molecular weight of 239.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 79192273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).