1-(4,4-diphenylbut-3-enyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride

C22H24ClNO2 — CID 6917798

IUPAC1-(4,4-diphenylbut-3-enyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1=CCCN(CCC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H23NO2.ClH/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19;/h1-6,9-14H,7-8,15-17H2,(H,24,25);1H
InChIKeyMQFXMIZVEFZMGQ-UHFFFAOYSA-N
MW369.89 g/mol
LogP4.65
Rot. Bonds6

About 1-(4,4-diphenylbut-3-enyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride

1-(4,4-diphenylbut-3-enyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride (PubChem CID 6917798) has the molecular formula C22H24ClNO2 and a molecular weight of 369.89 g/mol. Its IUPAC name is 1-(4,4-diphenylbut-3-enyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(4,4-diphenylbut-3-enyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
PubChem CID6917798
Molecular FormulaC22H24ClNO2
Molecular Weight369.89 g/mol
Exact Mass369.15
IUPAC Name1-(4,4-diphenylbut-3-enyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1=CCCN(CCC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H23NO2.ClH/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19;/h1-6,9-14H,7-8,15-17H2,(H,24,25);1H
InChIKeyMQFXMIZVEFZMGQ-UHFFFAOYSA-N
XLogP4.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4,4-diphenylbut-3-enyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride with MolForge

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Related Compounds

NO 711
CID 4515
Nnc 711
CID 123738
1-(4,4-Diphenyl-3-buten-1-yl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid
CID 134985
4-Ppbp maleate
CID 11682970
6-(3,3-Diphenylpropyl)guvacine
CID 195763
1-[2-[2,2-bis(4-fluoro-2-methylphenyl)ethenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
CID 45264886
1-(2-((2,2-bis(2-Ethylphenyl)ethenyl)oxy)ethyl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid hydrochloride
CID 45264896
1-[2-[[2,2-bis(3-Fluorophenyl)ethenyl]oxy]ethyl]-1,2,5,6-tetrahydro-3-pyridine carboxylic acid hydrochloride
CID 45264923
1-(2-((2,2-bis(2-Methylphenyl)ethenyl)oxy)ethyl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid hydrochloride
CID 45265023
1-[2-(3,3-diphenylpropoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
CID 45265211
1-[2-[(Z)-2-(2-fluorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
CID 45261640
1-[(3R)-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 49836189

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-diphenylbut-3-enyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride?
The IUPAC name of 1-(4,4-diphenylbut-3-enyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride (CID 6917798) is 1-(4,4-diphenylbut-3-enyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(4,4-diphenylbut-3-enyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(4,4-diphenylbut-3-enyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride is Cl.O=C(O)C1=CCCN(CCC=C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-(4,4-diphenylbut-3-enyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride?
The InChIKey is MQFXMIZVEFZMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2.ClH/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19;/h1-6,9-14H,7-8,15-17H2,(H,24,25);1H.
What are the key properties of 1-(4,4-diphenylbut-3-enyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride?
1-(4,4-diphenylbut-3-enyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-diphenylbut-3-enyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 6917798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).