4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride

C20H30Cl4N2O3 — CID 141070239

IUPAC4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride
SMILESCOc1cc(-c2cc(CN3CCCCC3)ccn2)cc(OC)c1OC.Cl.Cl.Cl.Cl
InChIInChI=1S/C20H26N2O3.4ClH/c1-23-18-12-16(13-19(24-2)20(18)25-3)17-11-15(7-8-21-17)14-22-9-5-4-6-10-22;;;;/h7-8,11-13H,4-6,9-10,14H2,1-3H3;4*1H
InChIKeyAQKHKSJYKLJVBZ-UHFFFAOYSA-N
MW488.28 g/mol
LogP5.45
Rot. Bonds6

About 4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride

4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride (PubChem CID 141070239) has the molecular formula C20H30Cl4N2O3 and a molecular weight of 488.28 g/mol. Its IUPAC name is 4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride.

Molecular Properties

Compound Name4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride
PubChem CID141070239
Molecular FormulaC20H30Cl4N2O3
Molecular Weight488.28 g/mol
Exact Mass486.10
IUPAC Name4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride
SMILESCOc1cc(-c2cc(CN3CCCCC3)ccn2)cc(OC)c1OC.Cl.Cl.Cl.Cl
InChIInChI=1S/C20H26N2O3.4ClH/c1-23-18-12-16(13-19(24-2)20(18)25-3)17-11-15(7-8-21-17)14-22-9-5-4-6-10-22;;;;/h7-8,11-13H,4-6,9-10,14H2,1-3H3;4*1H
InChIKeyAQKHKSJYKLJVBZ-UHFFFAOYSA-N
XLogP5.45
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.28
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methylpiperidin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)pyridine
CID 21338831
ethane;1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-one
CID 142818332
ethane;3-methoxy-5-[4-[[4-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperazin-1-yl]methyl]-2-pyridinyl]benzene-1,2-diol
CID 142882142
1-[(5,6,7-trimethoxynaphthalen-2-yl)methyl]-4-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperazine
CID 18546806
(3S)-N-methyl-N,1-bis[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine;tetrahydrochloride
CID 68918610
(3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine
CID 12043144
phenyl-[4-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperazin-1-yl]methanone
CID 18546829
1-[(E)-5-phenylpent-4-enyl]-4-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperazine
CID 18546847
N-(3-methylsulfanylphenyl)-N,1-bis[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 18342996
N-benzyl-1-[[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]methyl]-N-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 142906223
N-(4-methoxyphenyl)-1-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 18174095
1-[5-(4-fluorophenyl)pent-4-enyl]-4-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperazine
CID 69180728

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride?
The IUPAC name of 4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride (CID 141070239) is 4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride.
What is the SMILES notation for 4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride?
The canonical SMILES for 4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride is COc1cc(-c2cc(CN3CCCCC3)ccn2)cc(OC)c1OC.Cl.Cl.Cl.Cl.
What is the InChIKey of 4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride?
The InChIKey is AQKHKSJYKLJVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.4ClH/c1-23-18-12-16(13-19(24-2)20(18)25-3)17-11-15(7-8-21-17)14-22-9-5-4-6-10-22;;;;/h7-8,11-13H,4-6,9-10,14H2,1-3H3;4*1H.
What are the key properties of 4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride?
4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride has a molecular weight of 488.28 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride is sourced from PubChem (CID 141070239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).