methyl 1-[2-(2,2-diphenylethenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride

C23H26ClNO3 — CID 139817242

IUPACmethyl 1-[2-(2,2-diphenylethenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
SMILESCOC(=O)C1=CCCN(CCOC=C(c2ccccc2)c2ccccc2)C1.Cl
InChIInChI=1S/C23H25NO3.ClH/c1-26-23(25)21-13-8-14-24(17-21)15-16-27-18-22(19-9-4-2-5-10-19)20-11-6-3-7-12-20;/h2-7,9-13,18H,8,14-17H2,1H3;1H
InChIKeyVPAHAPULLXOTQV-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.32
Rot. Bonds7

About methyl 1-[2-(2,2-diphenylethenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride

methyl 1-[2-(2,2-diphenylethenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride (PubChem CID 139817242) has the molecular formula C23H26ClNO3 and a molecular weight of 399.92 g/mol. Its IUPAC name is methyl 1-[2-(2,2-diphenylethenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-[2-(2,2-diphenylethenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
PubChem CID139817242
Molecular FormulaC23H26ClNO3
Molecular Weight399.92 g/mol
Exact Mass399.16
IUPAC Namemethyl 1-[2-(2,2-diphenylethenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
SMILESCOC(=O)C1=CCCN(CCOC=C(c2ccccc2)c2ccccc2)C1.Cl
InChIInChI=1S/C23H25NO3.ClH/c1-26-23(25)21-13-8-14-24(17-21)15-16-27-18-22(19-9-4-2-5-10-19)20-11-6-3-7-12-20;/h2-7,9-13,18H,8,14-17H2,1H3;1H
InChIKeyVPAHAPULLXOTQV-UHFFFAOYSA-N
XLogP4.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[2-[(E)-2-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
CID 70230365
ethyl 1-[2-[2-(2-chlorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
CID 139787638
methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
CID 3087494
1-[4-(1-methylpyrrol-2-yl)-4-phenylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
CID 67869117
(3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid
CID 10620277
1-(2-benzhydrylphosphanyloxyethyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 142006751
methyl 1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
CID 125421943
1-[4-(3-methylthiophen-2-yl)-4-phenylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 67701413
1-[4-(3-methylimidazol-4-yl)-4-phenylbut-3-enyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 67702536
methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;4-stibonobenzoic acid
CID 28362
(3R)-1-[2-[(E)-2-(2-methylphenyl)-2-phenylethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 45261661
1-[2-(benzhydrylideneamino)oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;methyl (Z)-4-[(2-methoxy-2-oxoethyl)-methylamino]-3-phenylpent-2-enoate;hydrochloride
CID 45265672

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,2-diphenylethenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride?
The IUPAC name of methyl 1-[2-(2,2-diphenylethenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride (CID 139817242) is methyl 1-[2-(2,2-diphenylethenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-[2-(2,2-diphenylethenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-[2-(2,2-diphenylethenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride is COC(=O)C1=CCCN(CCOC=C(c2ccccc2)c2ccccc2)C1.Cl.
What is the InChIKey of methyl 1-[2-(2,2-diphenylethenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride?
The InChIKey is VPAHAPULLXOTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3.ClH/c1-26-23(25)21-13-8-14-24(17-21)15-16-27-18-22(19-9-4-2-5-10-19)20-11-6-3-7-12-20;/h2-7,9-13,18H,8,14-17H2,1H3;1H.
What are the key properties of methyl 1-[2-(2,2-diphenylethenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride?
methyl 1-[2-(2,2-diphenylethenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride has a molecular weight of 399.92 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2,2-diphenylethenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride is sourced from PubChem (CID 139817242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).