2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine

C22H26N4 — CID 110249834

IUPAC2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
SMILESCc1cccc(-c2cccc(C3CCCN(Cc4nccn4C)C3)n2)c1
InChIInChI=1S/C22H26N4/c1-17-6-3-7-18(14-17)20-9-4-10-21(24-20)19-8-5-12-26(15-19)16-22-23-11-13-25(22)2/h3-4,6-7,9-11,13-14,19H,5,8,12,15-16H2,1-2H3
InChIKeyUOPWELUCVAFBLD-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.17
Rot. Bonds4

About 2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine

2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine (PubChem CID 110249834) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine.

Molecular Properties

Compound Name2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
PubChem CID110249834
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
SMILESCc1cccc(-c2cccc(C3CCCN(Cc4nccn4C)C3)n2)c1
InChIInChI=1S/C22H26N4/c1-17-6-3-7-18(14-17)20-9-4-10-21(24-20)19-8-5-12-26(15-19)16-22-23-11-13-25(22)2/h3-4,6-7,9-11,13-14,19H,5,8,12,15-16H2,1-2H3
InChIKeyUOPWELUCVAFBLD-UHFFFAOYSA-N
XLogP4.17
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 95810615
2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809141
2-(3-methylphenyl)-6-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 110249816
2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 95810295
2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine
CID 95816201
N-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 110257105
2-ethyl-5-[[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methyl]pyrimidine
CID 95810588
5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine
CID 110257106
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-3-(3-methylphenyl)pyrazine
CID 95819373
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine
CID 95810617
2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809060
2-methyl-6-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 127246408

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine?
The IUPAC name of 2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine (CID 110249834) is 2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine.
What is the SMILES notation for 2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine?
The canonical SMILES for 2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine is Cc1cccc(-c2cccc(C3CCCN(Cc4nccn4C)C3)n2)c1.
What is the InChIKey of 2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine?
The InChIKey is UOPWELUCVAFBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-17-6-3-7-18(14-17)20-9-4-10-21(24-20)19-8-5-12-26(15-19)16-22-23-11-13-25(22)2/h3-4,6-7,9-11,13-14,19H,5,8,12,15-16H2,1-2H3.
What are the key properties of 2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine?
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine has a molecular weight of 346.48 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine is sourced from PubChem (CID 110249834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).