N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine

C14H27F3N2O — CID 103226814

IUPACN-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O/c1-11(2)7-18-8-13(10-20-3)19-6-4-5-12(9-19)14(15,16)17/h11-13,18H,4-10H2,1-3H3
InChIKeyJETRWADYVZGAMS-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.52
Rot. Bonds7

About N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine

N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine (PubChem CID 103226814) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine
PubChem CID103226814
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC NameN-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O/c1-11(2)7-18-8-13(10-20-3)19-6-4-5-12(9-19)14(15,16)17/h11-13,18H,4-10H2,1-3H3
InChIKeyJETRWADYVZGAMS-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]-2-methylpropan-1-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-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine (CID 103226814) is N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine is COCC(CNCC(C)C)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine?
The InChIKey is JETRWADYVZGAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-11(2)7-18-8-13(10-20-3)19-6-4-5-12(9-19)14(15,16)17/h11-13,18H,4-10H2,1-3H3.
What are the key properties of N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine?
N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine has a molecular weight of 296.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103226814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).