4-(2-chloroimidazol-1-yl)-1-methylpiperidine

C9H14ClN3 — CID 84733725

IUPAC4-(2-chloroimidazol-1-yl)-1-methylpiperidine
SMILESCN1CCC(n2ccnc2Cl)CC1
InChIInChI=1S/C9H14ClN3/c1-12-5-2-8(3-6-12)13-7-4-11-9(13)10/h4,7-8H,2-3,5-6H2,1H3
InChIKeyUVCIPSJAVJIHPG-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.80
Rot. Bonds1

About 4-(2-chloroimidazol-1-yl)-1-methylpiperidine

4-(2-chloroimidazol-1-yl)-1-methylpiperidine (PubChem CID 84733725) has the molecular formula C9H14ClN3 and a molecular weight of 199.68 g/mol. Its IUPAC name is 4-(2-chloroimidazol-1-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(2-chloroimidazol-1-yl)-1-methylpiperidine
PubChem CID84733725
Molecular FormulaC9H14ClN3
Molecular Weight199.68 g/mol
Exact Mass199.09
IUPAC Name4-(2-chloroimidazol-1-yl)-1-methylpiperidine
SMILESCN1CCC(n2ccnc2Cl)CC1
InChIInChI=1S/C9H14ClN3/c1-12-5-2-8(3-6-12)13-7-4-11-9(13)10/h4,7-8H,2-3,5-6H2,1H3
InChIKeyUVCIPSJAVJIHPG-UHFFFAOYSA-N
XLogP1.80
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-chloroimidazol-1-yl)-1-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methylpiperidin-4-yl)imidazole-2-sulfonyl chloride
CID 84738431
4-(2-ethylimidazol-1-yl)-1-methylazepane
CID 84734196
N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine
CID 106561605
1-(1,2-dimethylpiperidin-4-yl)-N-methylimidazol-2-amine
CID 106578377
1-(1-propylpiperidin-4-yl)imidazol-2-amine
CID 106568395
1-cyclopropyl-3-[2-(1-methylpiperidin-4-yl)ethylamino]pyrazin-2-one
CID 115917330
3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine
CID 145424448
2-chloro-3-(1-methylpiperidin-4-yl)pyrazine
CID 175662724
2-[(1R)-1-chloroethyl]-1-cyclopropylimidazole
CID 97175253
N-methyl-1-(1-propylpiperidin-4-yl)imidazol-2-amine
CID 106568397
2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile
CID 84732987
4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine
CID 117259842

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroimidazol-1-yl)-1-methylpiperidine?
The IUPAC name of 4-(2-chloroimidazol-1-yl)-1-methylpiperidine (CID 84733725) is 4-(2-chloroimidazol-1-yl)-1-methylpiperidine.
What is the SMILES notation for 4-(2-chloroimidazol-1-yl)-1-methylpiperidine?
The canonical SMILES for 4-(2-chloroimidazol-1-yl)-1-methylpiperidine is CN1CCC(n2ccnc2Cl)CC1.
What is the InChIKey of 4-(2-chloroimidazol-1-yl)-1-methylpiperidine?
The InChIKey is UVCIPSJAVJIHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-12-5-2-8(3-6-12)13-7-4-11-9(13)10/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 4-(2-chloroimidazol-1-yl)-1-methylpiperidine?
4-(2-chloroimidazol-1-yl)-1-methylpiperidine has a molecular weight of 199.68 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroimidazol-1-yl)-1-methylpiperidine is sourced from PubChem (CID 84733725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).