2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine

C15H20N4 — CID 95816983

IUPAC2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine
SMILESc1ccc(CC2CCN(Cc3ncc[nH]3)CC2)nc1
InChIInChI=1S/C15H20N4/c1-2-6-16-14(3-1)11-13-4-9-19(10-5-13)12-15-17-7-8-18-15/h1-3,6-8,13H,4-5,9-12H2,(H,17,18)
InChIKeyFNNMGUYJSINNOD-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.26
Rot. Bonds4

About 2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine

2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine (PubChem CID 95816983) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine
PubChem CID95816983
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine
SMILESc1ccc(CC2CCN(Cc3ncc[nH]3)CC2)nc1
InChIInChI=1S/C15H20N4/c1-2-6-16-14(3-1)11-13-4-9-19(10-5-13)12-15-17-7-8-18-15/h1-3,6-8,13H,4-5,9-12H2,(H,17,18)
InChIKeyFNNMGUYJSINNOD-UHFFFAOYSA-N
XLogP2.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane
CID 3597309
1-(1H-imidazol-2-ylmethyl)-4-phenyl-6-(pyridin-2-ylmethyl)-1,4-diazepane
CID 110264524
2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyridine
CID 174571259
4-(2-chlorophenoxy)-1-(1H-imidazol-2-ylmethyl)piperidine
CID 56902522
3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline
CID 95828196
2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine
CID 110095075
1-(1H-imidazol-2-ylmethyl)-4-pyridin-2-yl-1,4-diazepane
CID 95811332
2-(cyclohexylmethyl)pyridine
CID 14762660
4-[6-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
CID 110129353
2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 95844895
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95708664

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine?
The IUPAC name of 2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine (CID 95816983) is 2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine.
What is the SMILES notation for 2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine?
The canonical SMILES for 2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine is c1ccc(CC2CCN(Cc3ncc[nH]3)CC2)nc1.
What is the InChIKey of 2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine?
The InChIKey is FNNMGUYJSINNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-6-16-14(3-1)11-13-4-9-19(10-5-13)12-15-17-7-8-18-15/h1-3,6-8,13H,4-5,9-12H2,(H,17,18).
What are the key properties of 2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine?
2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine has a molecular weight of 256.35 g/mol, XLogP of 2.26, 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-4-yl]methyl]pyridine is sourced from PubChem (CID 95816983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).