5-methyl-4-(4-methylpiperidin-1-yl)-2-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride

C24H27ClN2 — CID 14441268

IUPAC5-methyl-4-(4-methylpiperidin-1-yl)-2-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride
SMILESCc1cnc(/C=C/c2cccc3ccccc23)cc1N1CCC(C)CC1.Cl
InChIInChI=1S/C24H26N2.ClH/c1-18-12-14-26(15-13-18)24-16-22(25-17-19(24)2)11-10-21-8-5-7-20-6-3-4-9-23(20)21;/h3-11,16-18H,12-15H2,1-2H3;1H/b11-10+;
InChIKeyJYNVDJHERXMLDO-ASTDGNLGSA-N
MW378.95 g/mol
LogP6.37
Rot. Bonds3

About 5-methyl-4-(4-methylpiperidin-1-yl)-2-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride

5-methyl-4-(4-methylpiperidin-1-yl)-2-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride (PubChem CID 14441268) has the molecular formula C24H27ClN2 and a molecular weight of 378.95 g/mol. Its IUPAC name is 5-methyl-4-(4-methylpiperidin-1-yl)-2-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride.

Molecular Properties

Compound Name5-methyl-4-(4-methylpiperidin-1-yl)-2-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride
PubChem CID14441268
Molecular FormulaC24H27ClN2
Molecular Weight378.95 g/mol
Exact Mass378.19
IUPAC Name5-methyl-4-(4-methylpiperidin-1-yl)-2-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride
SMILESCc1cnc(/C=C/c2cccc3ccccc23)cc1N1CCC(C)CC1.Cl
InChIInChI=1S/C24H26N2.ClH/c1-18-12-14-26(15-13-18)24-16-22(25-17-19(24)2)11-10-21-8-5-7-20-6-3-4-9-23(20)21;/h3-11,16-18H,12-15H2,1-2H3;1H/b11-10+;
InChIKeyJYNVDJHERXMLDO-ASTDGNLGSA-N
XLogP6.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.95
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-methylpiperidin-1-yl)-2-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride?
The IUPAC name of 5-methyl-4-(4-methylpiperidin-1-yl)-2-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride (CID 14441268) is 5-methyl-4-(4-methylpiperidin-1-yl)-2-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride.
What is the SMILES notation for 5-methyl-4-(4-methylpiperidin-1-yl)-2-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride?
The canonical SMILES for 5-methyl-4-(4-methylpiperidin-1-yl)-2-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride is Cc1cnc(/C=C/c2cccc3ccccc23)cc1N1CCC(C)CC1.Cl.
What is the InChIKey of 5-methyl-4-(4-methylpiperidin-1-yl)-2-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride?
The InChIKey is JYNVDJHERXMLDO-ASTDGNLGSA-N. The full InChI is InChI=1S/C24H26N2.ClH/c1-18-12-14-26(15-13-18)24-16-22(25-17-19(24)2)11-10-21-8-5-7-20-6-3-4-9-23(20)21;/h3-11,16-18H,12-15H2,1-2H3;1H/b11-10+;.
What are the key properties of 5-methyl-4-(4-methylpiperidin-1-yl)-2-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride?
5-methyl-4-(4-methylpiperidin-1-yl)-2-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride has a molecular weight of 378.95 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-methylpiperidin-1-yl)-2-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride is sourced from PubChem (CID 14441268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).