(4-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C13H19F3N2O — CID 114489852

IUPAC(4-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESNC1CCC(C(=O)N2CC=C(C(F)(F)F)CC2)CC1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)10-5-7-18(8-6-10)12(19)9-1-3-11(17)4-2-9/h5,9,11H,1-4,6-8,17H2
InChIKeyNRTPYGZYTJPFSB-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.22
Rot. Bonds1

About (4-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

(4-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 114489852) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is (4-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID114489852
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name(4-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESNC1CCC(C(=O)N2CC=C(C(F)(F)F)CC2)CC1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)10-5-7-18(8-6-10)12(19)9-1-3-11(17)4-2-9/h5,9,11H,1-4,6-8,17H2
InChIKeyNRTPYGZYTJPFSB-UHFFFAOYSA-N
XLogP2.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone 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 (4-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (4-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 114489852) is (4-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (4-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (4-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is NC1CCC(C(=O)N2CC=C(C(F)(F)F)CC2)CC1.
What is the InChIKey of (4-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is NRTPYGZYTJPFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c14-13(15,16)10-5-7-18(8-6-10)12(19)9-1-3-11(17)4-2-9/h5,9,11H,1-4,6-8,17H2.
What are the key properties of (4-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(4-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 276.30 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 114489852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).