3-[[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine

C21H24N4 — CID 90494491

IUPAC3-[[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine
SMILESc1ccc(-c2nccn2CC2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C21H24N4/c1-2-6-20(7-3-1)21-23-11-14-25(21)17-18-8-12-24(13-9-18)16-19-5-4-10-22-15-19/h1-7,10-11,14-15,18H,8-9,12-13,16-17H2
InChIKeyFOIHTHWUNKFXLK-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.86
Rot. Bonds5

About 3-[[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine

3-[[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine (PubChem CID 90494491) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-[[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine
PubChem CID90494491
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name3-[[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine
SMILESc1ccc(-c2nccn2CC2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C21H24N4/c1-2-6-20(7-3-1)21-23-11-14-25(21)17-18-8-12-24(13-9-18)16-19-5-4-10-22-15-19/h1-7,10-11,14-15,18H,8-9,12-13,16-17H2
InChIKeyFOIHTHWUNKFXLK-UHFFFAOYSA-N
XLogP3.86
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944822
trans-(1R,2R)-4-[(2-phenylimidazol-1-yl)methyl]-2-(pyridin-3-ylmethylamino)cyclopentan-1-ol
CID 154803272
N-methyl-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494467
1-(azepan-1-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494396
1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492944
ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate
CID 56861647
6-propan-2-yl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942129
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035
2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine
CID 165434595
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
(2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492963
2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593458

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine (CID 90494491) is 3-[[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine is c1ccc(-c2nccn2CC2CCN(Cc3cccnc3)CC2)cc1.
What is the InChIKey of 3-[[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine?
The InChIKey is FOIHTHWUNKFXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-2-6-20(7-3-1)21-23-11-14-25(21)17-18-8-12-24(13-9-18)16-19-5-4-10-22-15-19/h1-7,10-11,14-15,18H,8-9,12-13,16-17H2.
What are the key properties of 3-[[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine?
3-[[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine has a molecular weight of 332.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 90494491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).