4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine

C10H16ClN3 — CID 117259842

IUPAC4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine
SMILESCN1CCC(c2cnc(Cl)n2C)CC1
InChIInChI=1S/C10H16ClN3/c1-13-5-3-8(4-6-13)9-7-12-10(11)14(9)2/h7-8H,3-6H2,1-2H3
InChIKeyCYAKTPTYFKTWOR-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.88
Rot. Bonds1

About 4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine

4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine (PubChem CID 117259842) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine
PubChem CID117259842
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine
SMILESCN1CCC(c2cnc(Cl)n2C)CC1
InChIInChI=1S/C10H16ClN3/c1-13-5-3-8(4-6-13)9-7-12-10(11)14(9)2/h7-8H,3-6H2,1-2H3
InChIKeyCYAKTPTYFKTWOR-UHFFFAOYSA-N
XLogP1.88
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-3-methylimidazol-4-yl)cyclopentan-1-ol
CID 164644976
2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole
CID 117259825
5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole
CID 117259141
2-chloro-5-cyclohexyl-1-ethylimidazole
CID 117260188
2-chloro-3-(1-methylpiperidin-4-yl)pyrazine
CID 175662724
ethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine
CID 144594096
2-chloro-5-cyclobutyl-1-propan-2-ylimidazole
CID 117260181
2,5-dichloro-1-methylimidazole
CID 21298109
4-(2-chloroimidazol-1-yl)-1-methylpiperidine
CID 84733725
2-chloro-1-propan-2-yl-5-(thian-4-yl)imidazole
CID 117260017
5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)pyrimidine;dioxoplatinum
CID 161025882
2,3-dimethyl-5-(1-methylpiperidin-4-yl)pyridine
CID 158714513

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine?
The IUPAC name of 4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine (CID 117259842) is 4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine.
What is the SMILES notation for 4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine?
The canonical SMILES for 4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine is CN1CCC(c2cnc(Cl)n2C)CC1.
What is the InChIKey of 4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine?
The InChIKey is CYAKTPTYFKTWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-13-5-3-8(4-6-13)9-7-12-10(11)14(9)2/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine?
4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine has a molecular weight of 213.71 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine is sourced from PubChem (CID 117259842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).