2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine

C16H22N4 — CID 110095075

IUPAC2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine
SMILESCc1cccc(CC2CCCN(Cc3ncc[nH]3)C2)n1
InChIInChI=1S/C16H22N4/c1-13-4-2-6-15(19-13)10-14-5-3-9-20(11-14)12-16-17-7-8-18-16/h2,4,6-8,14H,3,5,9-12H2,1H3,(H,17,18)
InChIKeyKHLQONWBRSFLBG-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.57
Rot. Bonds4

About 2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine

2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine (PubChem CID 110095075) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine
PubChem CID110095075
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine
SMILESCc1cccc(CC2CCCN(Cc3ncc[nH]3)C2)n1
InChIInChI=1S/C16H22N4/c1-13-4-2-6-15(19-13)10-14-5-3-9-20(11-14)12-16-17-7-8-18-16/h2,4,6-8,14H,3,5,9-12H2,1H3,(H,17,18)
InChIKeyKHLQONWBRSFLBG-UHFFFAOYSA-N
XLogP2.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 127246408
2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 124952443
2-methyl-6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 124976617
2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine
CID 110106337
(3S)-1-benzyl-3-(1H-imidazol-2-ylmethyl)piperidine
CID 158336198
6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 124940637
(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-(2-methylphenyl)ethyl]piperidine
CID 42529056
1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 11160034
1-(1H-imidazol-2-ylmethyl)-4-phenyl-6-(pyridin-2-ylmethyl)-1,4-diazepane
CID 110264524
2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine
CID 95816983
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 79267719
3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline
CID 95828196

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine?
The IUPAC name of 2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine (CID 110095075) is 2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine.
What is the SMILES notation for 2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine?
The canonical SMILES for 2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine is Cc1cccc(CC2CCCN(Cc3ncc[nH]3)C2)n1.
What is the InChIKey of 2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine?
The InChIKey is KHLQONWBRSFLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13-4-2-6-15(19-13)10-14-5-3-9-20(11-14)12-16-17-7-8-18-16/h2,4,6-8,14H,3,5,9-12H2,1H3,(H,17,18).
What are the key properties of 2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine?
2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine has a molecular weight of 270.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine is sourced from PubChem (CID 110095075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).