1-(3-amino-1,1,1-trifluoropentan-2-yl)-4-methylpiperidin-4-ol

C11H21F3N2O — CID 81097699

IUPAC1-(3-amino-1,1,1-trifluoropentan-2-yl)-4-methylpiperidin-4-ol
SMILESCCC(N)C(N1CCC(C)(O)CC1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-3-8(15)9(11(12,13)14)16-6-4-10(2,17)5-7-16/h8-9,17H,3-7,15H2,1-2H3
InChIKeyPKCNABNLJBJZOU-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds3

About 1-(3-amino-1,1,1-trifluoropentan-2-yl)-4-methylpiperidin-4-ol

1-(3-amino-1,1,1-trifluoropentan-2-yl)-4-methylpiperidin-4-ol (PubChem CID 81097699) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluoropentan-2-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluoropentan-2-yl)-4-methylpiperidin-4-ol
PubChem CID81097699
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name1-(3-amino-1,1,1-trifluoropentan-2-yl)-4-methylpiperidin-4-ol
SMILESCCC(N)C(N1CCC(C)(O)CC1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-3-8(15)9(11(12,13)14)16-6-4-10(2,17)5-7-16/h8-9,17H,3-7,15H2,1-2H3
InChIKeyPKCNABNLJBJZOU-UHFFFAOYSA-N
XLogP1.50
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-amino-1,1,1-trifluoropentan-2-yl)-4-methylpiperidin-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 1-(3-amino-1,1,1-trifluoropentan-2-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(3-amino-1,1,1-trifluoropentan-2-yl)-4-methylpiperidin-4-ol (CID 81097699) is 1-(3-amino-1,1,1-trifluoropentan-2-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluoropentan-2-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(3-amino-1,1,1-trifluoropentan-2-yl)-4-methylpiperidin-4-ol is CCC(N)C(N1CCC(C)(O)CC1)C(F)(F)F.
What is the InChIKey of 1-(3-amino-1,1,1-trifluoropentan-2-yl)-4-methylpiperidin-4-ol?
The InChIKey is PKCNABNLJBJZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-3-8(15)9(11(12,13)14)16-6-4-10(2,17)5-7-16/h8-9,17H,3-7,15H2,1-2H3.
What are the key properties of 1-(3-amino-1,1,1-trifluoropentan-2-yl)-4-methylpiperidin-4-ol?
1-(3-amino-1,1,1-trifluoropentan-2-yl)-4-methylpiperidin-4-ol has a molecular weight of 254.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,1,1-trifluoropentan-2-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 81097699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).