5-methyl-2-[2-(4-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine;hydrochloride

C24H27ClN2 — CID 70379031

IUPAC5-methyl-2-[2-(4-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine;hydrochloride
SMILESCc1cnc(C=Cc2ccc(C)c3ccccc23)cc1N1CCCCC1.Cl
InChIInChI=1S/C24H26N2.ClH/c1-18-10-11-20(23-9-5-4-8-22(18)23)12-13-21-16-24(19(2)17-25-21)26-14-6-3-7-15-26;/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3;1H
InChIKeyGHXUEKUXFVPINW-UHFFFAOYSA-N
MW378.95 g/mol
LogP6.43
Rot. Bonds3

About 5-methyl-2-[2-(4-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine;hydrochloride

5-methyl-2-[2-(4-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine;hydrochloride (PubChem CID 70379031) has the molecular formula C24H27ClN2 and a molecular weight of 378.95 g/mol. Its IUPAC name is 5-methyl-2-[2-(4-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine;hydrochloride.

Molecular Properties

Compound Name5-methyl-2-[2-(4-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine;hydrochloride
PubChem CID70379031
Molecular FormulaC24H27ClN2
Molecular Weight378.95 g/mol
Exact Mass378.19
IUPAC Name5-methyl-2-[2-(4-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine;hydrochloride
SMILESCc1cnc(C=Cc2ccc(C)c3ccccc23)cc1N1CCCCC1.Cl
InChIInChI=1S/C24H26N2.ClH/c1-18-10-11-20(23-9-5-4-8-22(18)23)12-13-21-16-24(19(2)17-25-21)26-14-6-3-7-15-26;/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3;1H
InChIKeyGHXUEKUXFVPINW-UHFFFAOYSA-N
XLogP6.43
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 ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-[(Z)-2-(5-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine;hydrochloride
CID 14441212
5-methyl-2-[(Z)-2-(5-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine
CID 14441211
1-[5-methyl-2-(2-naphthalen-1-ylethenyl)-4-pyridinyl]azepane;hydrochloride
CID 70379048
5-methyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyrrolidin-1-ylpyridine;hydrochloride
CID 14441254
2-[2-(2-chlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine
CID 54040144
2-[(Z)-2-(2,3-dichlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine
CID 14441317
5-methyl-2-[(Z)-2-(4-phenylphenyl)ethenyl]-4-piperidin-1-ylpyridine
CID 14441295
5-methyl-4-(4-methylpiperidin-1-yl)-2-[(E)-2-naphthalen-1-ylethenyl]pyridine;hydrochloride
CID 14441268
5-ethyl-2-[(E)-2-naphthalen-1-ylethenyl]-4-piperidin-1-ylpyridine;hydrochloride
CID 14441280
1-[5-ethyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyridinyl]azepane
CID 70379017
5-methyl-2-(3-naphthalen-1-ylpropyl)-4-piperidin-1-ylpyridine;hydrochloride
CID 14441412
2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride
CID 14441402

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(4-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine;hydrochloride?
The IUPAC name of 5-methyl-2-[2-(4-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine;hydrochloride (CID 70379031) is 5-methyl-2-[2-(4-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine;hydrochloride.
What is the SMILES notation for 5-methyl-2-[2-(4-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine;hydrochloride?
The canonical SMILES for 5-methyl-2-[2-(4-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine;hydrochloride is Cc1cnc(C=Cc2ccc(C)c3ccccc23)cc1N1CCCCC1.Cl.
What is the InChIKey of 5-methyl-2-[2-(4-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine;hydrochloride?
The InChIKey is GHXUEKUXFVPINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2.ClH/c1-18-10-11-20(23-9-5-4-8-22(18)23)12-13-21-16-24(19(2)17-25-21)26-14-6-3-7-15-26;/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3;1H.
What are the key properties of 5-methyl-2-[2-(4-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine;hydrochloride?
5-methyl-2-[2-(4-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine;hydrochloride has a molecular weight of 378.95 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(4-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine;hydrochloride is sourced from PubChem (CID 70379031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).