ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol

C11H24F3NO — CID 145307662

IUPACethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol
SMILESCC.CC.CN1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO.2C2H6/c1-11-4-2-3-6(12,5-11)7(8,9)10;2*1-2/h12H,2-5H2,1H3;2*1-2H3
InChIKeyRZLIGDOOGJGILI-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.06
Rot. Bonds

About ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol

ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol (PubChem CID 145307662) has the molecular formula C11H24F3NO and a molecular weight of 243.31 g/mol. Its IUPAC name is ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol.

Molecular Properties

Compound Nameethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol
PubChem CID145307662
Molecular FormulaC11H24F3NO
Molecular Weight243.31 g/mol
Exact Mass243.18
IUPAC Nameethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol
SMILESCC.CC.CN1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO.2C2H6/c1-11-4-2-3-6(12,5-11)7(8,9)10;2*1-2/h12H,2-5H2,1H3;2*1-2H3
InChIKeyRZLIGDOOGJGILI-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

(r,s)-1,3-Diethyl-piperidin-3-ol
CID 21581073
1,1,1,3,3,3-Hexafluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]propan-2-ol
CID 58394511
1-Tert-butyl-3-(trifluoromethyl)piperidin-3-ol
CID 59539743
1-Propyl-4-(trifluoromethyl)piperidin-4-ol
CID 61644948
4-(Difluoromethyl)-1-propylpiperidin-4-ol
CID 80605093
3-(Difluoromethyl)-1-methylpiperidin-3-ol
CID 81713059
1,1,1-Trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol
CID 83983137
1-Ethyl-3-(trifluoromethyl)piperidin-3-ol
CID 89019254
1,1,1,3,3,3-Hexafluoro-2-(1-methylpiperidin-4-yl)propan-2-ol
CID 89715300
1-Methyl-3-(trifluoromethyl)piperidin-3-ol
CID 89751445
Ethane;1-methyl-4-(trifluoromethyl)piperidin-4-ol
CID 90865476
4-Fluoro-3-methyl-1-propan-2-ylpiperidin-3-ol
CID 126655208

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol?
The IUPAC name of ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol (CID 145307662) is ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol.
What is the SMILES notation for ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol?
The canonical SMILES for ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol is CC.CC.CN1CCCC(O)(C(F)(F)F)C1.
What is the InChIKey of ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol?
The InChIKey is RZLIGDOOGJGILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO.2C2H6/c1-11-4-2-3-6(12,5-11)7(8,9)10;2*1-2/h12H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol?
ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol has a molecular weight of 243.31 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol is sourced from PubChem (CID 145307662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).