4-(5-chloro-1-methylimidazol-2-yl)-1-ethylpiperidine

C11H18ClN3 — CID 117259171

IUPAC4-(5-chloro-1-methylimidazol-2-yl)-1-ethylpiperidine
SMILESCCN1CCC(c2ncc(Cl)n2C)CC1
InChIInChI=1S/C11H18ClN3/c1-3-15-6-4-9(5-7-15)11-13-8-10(12)14(11)2/h8-9H,3-7H2,1-2H3
InChIKeyGYIIDCZTBXYQIP-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.27
Rot. Bonds2

About 4-(5-chloro-1-methylimidazol-2-yl)-1-ethylpiperidine

4-(5-chloro-1-methylimidazol-2-yl)-1-ethylpiperidine (PubChem CID 117259171) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 4-(5-chloro-1-methylimidazol-2-yl)-1-ethylpiperidine.

Molecular Properties

Compound Name4-(5-chloro-1-methylimidazol-2-yl)-1-ethylpiperidine
PubChem CID117259171
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name4-(5-chloro-1-methylimidazol-2-yl)-1-ethylpiperidine
SMILESCCN1CCC(c2ncc(Cl)n2C)CC1
InChIInChI=1S/C11H18ClN3/c1-3-15-6-4-9(5-7-15)11-13-8-10(12)14(11)2/h8-9H,3-7H2,1-2H3
InChIKeyGYIIDCZTBXYQIP-UHFFFAOYSA-N
XLogP2.27
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine
CID 117259172
5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole
CID 117259141
3-(1-ethylpiperidin-4-yl)-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117152479
3-(1-ethylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine
CID 117152481
3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridin-8-ol
CID 117146296
[2-(5-chloro-1-methylimidazol-2-yl)-1-propylpyrrolidin-3-yl]methanamine
CID 114239520
3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridin-8-amine
CID 117146294
3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridin-7-ol
CID 117143844
1-ethyl-4-(2-methyl-1H-imidazol-5-yl)piperidine
CID 90202035
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine
CID 60695637
2-[4-(5-chloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144853
3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117144961

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-methylimidazol-2-yl)-1-ethylpiperidine?
The IUPAC name of 4-(5-chloro-1-methylimidazol-2-yl)-1-ethylpiperidine (CID 117259171) is 4-(5-chloro-1-methylimidazol-2-yl)-1-ethylpiperidine.
What is the SMILES notation for 4-(5-chloro-1-methylimidazol-2-yl)-1-ethylpiperidine?
The canonical SMILES for 4-(5-chloro-1-methylimidazol-2-yl)-1-ethylpiperidine is CCN1CCC(c2ncc(Cl)n2C)CC1.
What is the InChIKey of 4-(5-chloro-1-methylimidazol-2-yl)-1-ethylpiperidine?
The InChIKey is GYIIDCZTBXYQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-3-15-6-4-9(5-7-15)11-13-8-10(12)14(11)2/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-(5-chloro-1-methylimidazol-2-yl)-1-ethylpiperidine?
4-(5-chloro-1-methylimidazol-2-yl)-1-ethylpiperidine has a molecular weight of 227.74 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-methylimidazol-2-yl)-1-ethylpiperidine is sourced from PubChem (CID 117259171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).