1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride

C15H19ClF3N — CID 3054984

IUPAC1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride
SMILESCC(C)N1CCC=C(c2cccc(C(F)(F)F)c2)C1.Cl
InChIInChI=1S/C15H18F3N.ClH/c1-11(2)19-8-4-6-13(10-19)12-5-3-7-14(9-12)15(16,17)18;/h3,5-7,9,11H,4,8,10H2,1-2H3;1H
InChIKeyCKZQECLMYJJWAD-UHFFFAOYSA-N
MW305.77 g/mol
LogP4.62
Rot. Bonds2

About 1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride

1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride (PubChem CID 3054984) has the molecular formula C15H19ClF3N and a molecular weight of 305.77 g/mol. Its IUPAC name is 1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride
PubChem CID3054984
Molecular FormulaC15H19ClF3N
Molecular Weight305.77 g/mol
Exact Mass305.12
IUPAC Name1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride
SMILESCC(C)N1CCC=C(c2cccc(C(F)(F)F)c2)C1.Cl
InChIInChI=1S/C15H18F3N.ClH/c1-11(2)19-8-4-6-13(10-19)12-5-3-7-14(9-12)15(16,17)18;/h3,5-7,9,11H,4,8,10H2,1-2H3;1H
InChIKeyCKZQECLMYJJWAD-UHFFFAOYSA-N
XLogP4.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride 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 1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride?
The IUPAC name of 1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride (CID 3054984) is 1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride.
What is the SMILES notation for 1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride?
The canonical SMILES for 1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride is CC(C)N1CCC=C(c2cccc(C(F)(F)F)c2)C1.Cl.
What is the InChIKey of 1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride?
The InChIKey is CKZQECLMYJJWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N.ClH/c1-11(2)19-8-4-6-13(10-19)12-5-3-7-14(9-12)15(16,17)18;/h3,5-7,9,11H,4,8,10H2,1-2H3;1H.
What are the key properties of 1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride?
1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride has a molecular weight of 305.77 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride is sourced from PubChem (CID 3054984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).