3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol

C11H21F3N2O — CID 83992073

IUPAC3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
SMILESCN1CC(CCCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-16-6-9(3-2-4-17)5-10(7-16)15-8-11(12,13)14/h9-10,15,17H,2-8H2,1H3
InChIKeyXREZWCJXOISLTL-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.23
Rot. Bonds5

About 3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol

3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol (PubChem CID 83992073) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
PubChem CID83992073
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
SMILESCN1CC(CCCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-16-6-9(3-2-4-17)5-10(7-16)15-8-11(12,13)14/h9-10,15,17H,2-8H2,1H3
InChIKeyXREZWCJXOISLTL-UHFFFAOYSA-N
XLogP1.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze 3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-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

3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992434
5-(2,2-dimethylpropyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992057
2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992175
3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992078
2-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992721
2-[1-(2-methylcyclobutyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992518
2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid
CID 83995392
3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol
CID 83995351
(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 162433689
3-[5-(2,2-dimethylpropylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 83995289
3-[1-ethyl-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990202
1-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83995101

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol (CID 83992073) is 3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol is CN1CC(CCCO)CC(NCC(F)(F)F)C1.
What is the InChIKey of 3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
The InChIKey is XREZWCJXOISLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-16-6-9(3-2-4-17)5-10(7-16)15-8-11(12,13)14/h9-10,15,17H,2-8H2,1H3.
What are the key properties of 3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol has a molecular weight of 254.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 83992073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).