5-methyl-4-(3-methylpiperidin-1-yl)-2-(2-naphthalen-1-ylethyl)pyridine;hydrochloride

C24H29ClN2 — CID 14441370

IUPAC5-methyl-4-(3-methylpiperidin-1-yl)-2-(2-naphthalen-1-ylethyl)pyridine;hydrochloride
SMILESCc1cnc(CCc2cccc3ccccc23)cc1N1CCCC(C)C1.Cl
InChIInChI=1S/C24H28N2.ClH/c1-18-7-6-14-26(17-18)24-15-22(25-16-19(24)2)13-12-21-10-5-9-20-8-3-4-11-23(20)21;/h3-5,8-11,15-16,18H,6-7,12-14,17H2,1-2H3;1H
InChIKeyXTMDCPCFYUWBSE-UHFFFAOYSA-N
MW380.96 g/mol
LogP5.99
Rot. Bonds4

About 5-methyl-4-(3-methylpiperidin-1-yl)-2-(2-naphthalen-1-ylethyl)pyridine;hydrochloride

5-methyl-4-(3-methylpiperidin-1-yl)-2-(2-naphthalen-1-ylethyl)pyridine;hydrochloride (PubChem CID 14441370) has the molecular formula C24H29ClN2 and a molecular weight of 380.96 g/mol. Its IUPAC name is 5-methyl-4-(3-methylpiperidin-1-yl)-2-(2-naphthalen-1-ylethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name5-methyl-4-(3-methylpiperidin-1-yl)-2-(2-naphthalen-1-ylethyl)pyridine;hydrochloride
PubChem CID14441370
Molecular FormulaC24H29ClN2
Molecular Weight380.96 g/mol
Exact Mass380.20
IUPAC Name5-methyl-4-(3-methylpiperidin-1-yl)-2-(2-naphthalen-1-ylethyl)pyridine;hydrochloride
SMILESCc1cnc(CCc2cccc3ccccc23)cc1N1CCCC(C)C1.Cl
InChIInChI=1S/C24H28N2.ClH/c1-18-7-6-14-26(17-18)24-15-22(25-16-19(24)2)13-12-21-10-5-9-20-8-3-4-11-23(20)21;/h3-5,8-11,15-16,18H,6-7,12-14,17H2,1-2H3;1H
InChIKeyXTMDCPCFYUWBSE-UHFFFAOYSA-N
XLogP5.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.96
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(3-methylpiperidin-1-yl)-2-(2-naphthalen-1-ylethyl)pyridine;hydrochloride?
The IUPAC name of 5-methyl-4-(3-methylpiperidin-1-yl)-2-(2-naphthalen-1-ylethyl)pyridine;hydrochloride (CID 14441370) is 5-methyl-4-(3-methylpiperidin-1-yl)-2-(2-naphthalen-1-ylethyl)pyridine;hydrochloride.
What is the SMILES notation for 5-methyl-4-(3-methylpiperidin-1-yl)-2-(2-naphthalen-1-ylethyl)pyridine;hydrochloride?
The canonical SMILES for 5-methyl-4-(3-methylpiperidin-1-yl)-2-(2-naphthalen-1-ylethyl)pyridine;hydrochloride is Cc1cnc(CCc2cccc3ccccc23)cc1N1CCCC(C)C1.Cl.
What is the InChIKey of 5-methyl-4-(3-methylpiperidin-1-yl)-2-(2-naphthalen-1-ylethyl)pyridine;hydrochloride?
The InChIKey is XTMDCPCFYUWBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2.ClH/c1-18-7-6-14-26(17-18)24-15-22(25-16-19(24)2)13-12-21-10-5-9-20-8-3-4-11-23(20)21;/h3-5,8-11,15-16,18H,6-7,12-14,17H2,1-2H3;1H.
What are the key properties of 5-methyl-4-(3-methylpiperidin-1-yl)-2-(2-naphthalen-1-ylethyl)pyridine;hydrochloride?
5-methyl-4-(3-methylpiperidin-1-yl)-2-(2-naphthalen-1-ylethyl)pyridine;hydrochloride has a molecular weight of 380.96 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(3-methylpiperidin-1-yl)-2-(2-naphthalen-1-ylethyl)pyridine;hydrochloride is sourced from PubChem (CID 14441370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).