N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)piperidin-3-amine

C22H24F4N2O2 — CID 22006959

IUPACN-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)piperidin-3-amine
SMILESFc1ccc(C2NCCCC2NCc2cc(OC(F)(F)F)ccc2OC2CC2)cc1
InChIInChI=1S/C22H24F4N2O2/c23-16-5-3-14(4-6-16)21-19(2-1-11-27-21)28-13-15-12-18(30-22(24,25)26)9-10-20(15)29-17-7-8-17/h3-6,9-10,12,17,19,21,27-28H,1-2,7-8,11,13H2
InChIKeyIGBKKHGDQYZABM-UHFFFAOYSA-N
MW424.44 g/mol
LogP4.85
Rot. Bonds7

About N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)piperidin-3-amine

N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)piperidin-3-amine (PubChem CID 22006959) has the molecular formula C22H24F4N2O2 and a molecular weight of 424.44 g/mol. Its IUPAC name is N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)piperidin-3-amine
PubChem CID22006959
Molecular FormulaC22H24F4N2O2
Molecular Weight424.44 g/mol
Exact Mass424.18
IUPAC NameN-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)piperidin-3-amine
SMILESFc1ccc(C2NCCCC2NCc2cc(OC(F)(F)F)ccc2OC2CC2)cc1
InChIInChI=1S/C22H24F4N2O2/c23-16-5-3-14(4-6-16)21-19(2-1-11-27-21)28-13-15-12-18(30-22(24,25)26)9-10-20(15)29-17-7-8-17/h3-6,9-10,12,17,19,21,27-28H,1-2,7-8,11,13H2
InChIKeyIGBKKHGDQYZABM-UHFFFAOYSA-N
XLogP4.85
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)piperidin-3-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-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)piperidin-3-amine?
The IUPAC name of N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)piperidin-3-amine (CID 22006959) is N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)piperidin-3-amine.
What is the SMILES notation for N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)piperidin-3-amine?
The canonical SMILES for N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)piperidin-3-amine is Fc1ccc(C2NCCCC2NCc2cc(OC(F)(F)F)ccc2OC2CC2)cc1.
What is the InChIKey of N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)piperidin-3-amine?
The InChIKey is IGBKKHGDQYZABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N2O2/c23-16-5-3-14(4-6-16)21-19(2-1-11-27-21)28-13-15-12-18(30-22(24,25)26)9-10-20(15)29-17-7-8-17/h3-6,9-10,12,17,19,21,27-28H,1-2,7-8,11,13H2.
What are the key properties of N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)piperidin-3-amine?
N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)piperidin-3-amine has a molecular weight of 424.44 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)piperidin-3-amine is sourced from PubChem (CID 22006959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).