N-[1-(oxolan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C13H23F3N2O — CID 43772044

IUPACN-[1-(oxolan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(NC1CCN(CC(F)(F)F)CC1)C1CCCO1
InChIInChI=1S/C13H23F3N2O/c1-10(12-3-2-8-19-12)17-11-4-6-18(7-5-11)9-13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyBLCRVVHQPFZTKF-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.17
Rot. Bonds4

About N-[1-(oxolan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[1-(oxolan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43772044) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43772044
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(NC1CCN(CC(F)(F)F)CC1)C1CCCO1
InChIInChI=1S/C13H23F3N2O/c1-10(12-3-2-8-19-12)17-11-4-6-18(7-5-11)9-13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyBLCRVVHQPFZTKF-UHFFFAOYSA-N
XLogP2.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(oxolan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine 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 N-[1-(oxolan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43772044) is N-[1-(oxolan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CC(NC1CCN(CC(F)(F)F)CC1)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is BLCRVVHQPFZTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-10(12-3-2-8-19-12)17-11-4-6-18(7-5-11)9-13(14,15)16/h10-12,17H,2-9H2,1H3.
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[1-(oxolan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 280.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43772044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).