N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

C17H22F3N3O — CID 91775815

IUPACN-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESFC(F)(F)c1ccc(N2CCC(N[C@@H]3C[C@@H]4OCC[C@@H]43)CC2)nc1
InChIInChI=1S/C17H22F3N3O/c18-17(19,20)11-1-2-16(21-10-11)23-6-3-12(4-7-23)22-14-9-15-13(14)5-8-24-15/h1-2,10,12-15,22H,3-9H2/t13-,14-,15+/m1/s1
InChIKeyYFCJJKCCWDDEQZ-KFWWJZLASA-N
MW341.38 g/mol
LogP2.84
Rot. Bonds3

About N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (PubChem CID 91775815) has the molecular formula C17H22F3N3O and a molecular weight of 341.38 g/mol. Its IUPAC name is N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
PubChem CID91775815
Molecular FormulaC17H22F3N3O
Molecular Weight341.38 g/mol
Exact Mass341.17
IUPAC NameN-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESFC(F)(F)c1ccc(N2CCC(N[C@@H]3C[C@@H]4OCC[C@@H]43)CC2)nc1
InChIInChI=1S/C17H22F3N3O/c18-17(19,20)11-1-2-16(21-10-11)23-6-3-12(4-7-23)22-14-9-15-13(14)5-8-24-15/h1-2,10,12-15,22H,3-9H2/t13-,14-,15+/m1/s1
InChIKeyYFCJJKCCWDDEQZ-KFWWJZLASA-N
XLogP2.84
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]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-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (CID 91775815) is N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is FC(F)(F)c1ccc(N2CCC(N[C@@H]3C[C@@H]4OCC[C@@H]43)CC2)nc1.
What is the InChIKey of N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is YFCJJKCCWDDEQZ-KFWWJZLASA-N. The full InChI is InChI=1S/C17H22F3N3O/c18-17(19,20)11-1-2-16(21-10-11)23-6-3-12(4-7-23)22-14-9-15-13(14)5-8-24-15/h1-2,10,12-15,22H,3-9H2/t13-,14-,15+/m1/s1.
What are the key properties of N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 341.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 91775815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).