3-[3-ethyl-4-(methylamino)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol

C11H21F3N2O — CID 114507900

IUPAC3-[3-ethyl-4-(methylamino)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCC1CN(CC(O)C(F)(F)F)CCC1NC
InChIInChI=1S/C11H21F3N2O/c1-3-8-6-16(5-4-9(8)15-2)7-10(17)11(12,13)14/h8-10,15,17H,3-7H2,1-2H3
InChIKeyUOSVHDUUCCHHJE-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.23
Rot. Bonds4

About 3-[3-ethyl-4-(methylamino)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol

3-[3-ethyl-4-(methylamino)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 114507900) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-[3-ethyl-4-(methylamino)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[3-ethyl-4-(methylamino)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID114507900
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name3-[3-ethyl-4-(methylamino)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCC1CN(CC(O)C(F)(F)F)CCC1NC
InChIInChI=1S/C11H21F3N2O/c1-3-8-6-16(5-4-9(8)15-2)7-10(17)11(12,13)14/h8-10,15,17H,3-7H2,1-2H3
InChIKeyUOSVHDUUCCHHJE-UHFFFAOYSA-N
XLogP1.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 114507762
1,1,1-trifluoro-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 63902467
3-[3-ethyl-4-(methylamino)piperidin-1-yl]propan-1-ol
CID 114507793
1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine
CID 114507992
3-ethyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 114507825
3-[3-ethyl-4-(methylamino)piperidin-1-yl]butan-2-ol
CID 114507986
3-ethyl-N-methyl-1-(2-propan-2-yloxyethyl)piperidin-4-amine
CID 114507946
3-[3-ethyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114507781
2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 114507947
3-ethyl-N,1-dimethylpiperidin-4-amine
CID 114507994
methyl N-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-3-yl]carbamate
CID 113402577
1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid
CID 63900261

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-4-(methylamino)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[3-ethyl-4-(methylamino)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol (CID 114507900) is 3-[3-ethyl-4-(methylamino)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[3-ethyl-4-(methylamino)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[3-ethyl-4-(methylamino)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol is CCC1CN(CC(O)C(F)(F)F)CCC1NC.
What is the InChIKey of 3-[3-ethyl-4-(methylamino)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is UOSVHDUUCCHHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-3-8-6-16(5-4-9(8)15-2)7-10(17)11(12,13)14/h8-10,15,17H,3-7H2,1-2H3.
What are the key properties of 3-[3-ethyl-4-(methylamino)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
3-[3-ethyl-4-(methylamino)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 254.30 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethyl-4-(methylamino)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 114507900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).