3-(1,4-dimethylimidazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine

C21H30N4 — CID 110104154

IUPAC3-(1,4-dimethylimidazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine
SMILESCc1cn(C)c(C2CCCN(Cc3ccccc3N3CCCC3)C2)n1
InChIInChI=1S/C21H30N4/c1-17-14-23(2)21(22-17)19-9-7-11-24(16-19)15-18-8-3-4-10-20(18)25-12-5-6-13-25/h3-4,8,10,14,19H,5-7,9,11-13,15-16H2,1-2H3
InChIKeyLTEFHVCQBQVKFY-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.71
Rot. Bonds4

About 3-(1,4-dimethylimidazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine

3-(1,4-dimethylimidazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine (PubChem CID 110104154) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 3-(1,4-dimethylimidazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-(1,4-dimethylimidazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine
PubChem CID110104154
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name3-(1,4-dimethylimidazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine
SMILESCc1cn(C)c(C2CCCN(Cc3ccccc3N3CCCC3)C2)n1
InChIInChI=1S/C21H30N4/c1-17-14-23(2)21(22-17)19-9-7-11-24(16-19)15-18-8-3-4-10-20(18)25-12-5-6-13-25/h3-4,8,10,14,19H,5-7,9,11-13,15-16H2,1-2H3
InChIKeyLTEFHVCQBQVKFY-UHFFFAOYSA-N
XLogP3.71
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole
CID 124949205
3-[(3R)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 92625224
(3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)piperidine
CID 124989956
(3R)-3-(1,4-dimethylimidazol-2-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidine
CID 125025540
1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole
CID 124959858
2-[(3S)-1-[(4-chloro-2-fluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole
CID 124959224
5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 110104090
2-pyridin-2-yl-4-[(3S)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136673596
(3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
CID 96575360
1-[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 124959107
(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96573404
1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone
CID 110104156

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dimethylimidazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine?
The IUPAC name of 3-(1,4-dimethylimidazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine (CID 110104154) is 3-(1,4-dimethylimidazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine.
What is the SMILES notation for 3-(1,4-dimethylimidazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine?
The canonical SMILES for 3-(1,4-dimethylimidazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine is Cc1cn(C)c(C2CCCN(Cc3ccccc3N3CCCC3)C2)n1.
What is the InChIKey of 3-(1,4-dimethylimidazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine?
The InChIKey is LTEFHVCQBQVKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-17-14-23(2)21(22-17)19-9-7-11-24(16-19)15-18-8-3-4-10-20(18)25-12-5-6-13-25/h3-4,8,10,14,19H,5-7,9,11-13,15-16H2,1-2H3.
What are the key properties of 3-(1,4-dimethylimidazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine?
3-(1,4-dimethylimidazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine has a molecular weight of 338.50 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dimethylimidazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine is sourced from PubChem (CID 110104154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).