1-methyl-4-phenyl-6-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridine;hydrochloride

C22H28ClNO3 — CID 90673722

IUPAC1-methyl-4-phenyl-6-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridine;hydrochloride
SMILESCOc1cc(CC2C=C(c3ccccc3)CCN2C)cc(OC)c1OC.Cl
InChIInChI=1S/C22H27NO3.ClH/c1-23-11-10-18(17-8-6-5-7-9-17)15-19(23)12-16-13-20(24-2)22(26-4)21(14-16)25-3;/h5-9,13-15,19H,10-12H2,1-4H3;1H
InChIKeyUMOXTZVAXBPYPC-UHFFFAOYSA-N
MW389.92 g/mol
LogP4.46
Rot. Bonds6

About 1-methyl-4-phenyl-6-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridine;hydrochloride

1-methyl-4-phenyl-6-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridine;hydrochloride (PubChem CID 90673722) has the molecular formula C22H28ClNO3 and a molecular weight of 389.92 g/mol. Its IUPAC name is 1-methyl-4-phenyl-6-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-phenyl-6-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridine;hydrochloride
PubChem CID90673722
Molecular FormulaC22H28ClNO3
Molecular Weight389.92 g/mol
Exact Mass389.18
IUPAC Name1-methyl-4-phenyl-6-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridine;hydrochloride
SMILESCOc1cc(CC2C=C(c3ccccc3)CCN2C)cc(OC)c1OC.Cl
InChIInChI=1S/C22H27NO3.ClH/c1-23-11-10-18(17-8-6-5-7-9-17)15-19(23)12-16-13-20(24-2)22(26-4)21(14-16)25-3;/h5-9,13-15,19H,10-12H2,1-4H3;1H
InChIKeyUMOXTZVAXBPYPC-UHFFFAOYSA-N
XLogP4.46
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.92
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-6-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridine;hydrochloride?
The IUPAC name of 1-methyl-4-phenyl-6-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridine;hydrochloride (CID 90673722) is 1-methyl-4-phenyl-6-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridine;hydrochloride.
What is the SMILES notation for 1-methyl-4-phenyl-6-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridine;hydrochloride?
The canonical SMILES for 1-methyl-4-phenyl-6-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridine;hydrochloride is COc1cc(CC2C=C(c3ccccc3)CCN2C)cc(OC)c1OC.Cl.
What is the InChIKey of 1-methyl-4-phenyl-6-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridine;hydrochloride?
The InChIKey is UMOXTZVAXBPYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3.ClH/c1-23-11-10-18(17-8-6-5-7-9-17)15-19(23)12-16-13-20(24-2)22(26-4)21(14-16)25-3;/h5-9,13-15,19H,10-12H2,1-4H3;1H.
What are the key properties of 1-methyl-4-phenyl-6-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridine;hydrochloride?
1-methyl-4-phenyl-6-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridine;hydrochloride has a molecular weight of 389.92 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-6-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridine;hydrochloride is sourced from PubChem (CID 90673722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).