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

C16H22N4 — CID 110257106

IUPAC5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine
SMILESCc1ccc(C2CCCN(Cc3nccn3C)C2)nc1
InChIInChI=1S/C16H22N4/c1-13-5-6-15(18-10-13)14-4-3-8-20(11-14)12-16-17-7-9-19(16)2/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3
InChIKeySQIUIMZHMZEQMO-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.50
Rot. Bonds3

About 5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine

5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine (PubChem CID 110257106) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine.

Molecular Properties

Compound Name5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine
PubChem CID110257106
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine
SMILESCc1ccc(C2CCCN(Cc3nccn3C)C2)nc1
InChIInChI=1S/C16H22N4/c1-13-5-6-15(18-10-13)14-4-3-8-20(11-14)12-16-17-7-9-19(16)2/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3
InChIKeySQIUIMZHMZEQMO-UHFFFAOYSA-N
XLogP2.50
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine
CID 95816201
2-[3-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanol
CID 73440472
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249834
N-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 110257105
3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine
CID 110111464
N-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 124997573
5-methyl-2-(1-sulfanylpiperidin-3-yl)pyridine
CID 89100449
2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid
CID 83197847
2-methyl-6-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 127246408
3-(5-methyl-2-pyridinyl)piperidine-1-carbaldehyde
CID 140789844
4-methyl-N-[3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 132765437
2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63847439

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine?
The IUPAC name of 5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine (CID 110257106) is 5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine.
What is the SMILES notation for 5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine?
The canonical SMILES for 5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine is Cc1ccc(C2CCCN(Cc3nccn3C)C2)nc1.
What is the InChIKey of 5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine?
The InChIKey is SQIUIMZHMZEQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13-5-6-15(18-10-13)14-4-3-8-20(11-14)12-16-17-7-9-19(16)2/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3.
What are the key properties of 5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine?
5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine has a molecular weight of 270.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine is sourced from PubChem (CID 110257106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).