1-(1-methylimidazol-2-yl)piperidine;dihydrochloride

C9H17Cl2N3 — CID 141222572

IUPAC1-(1-methylimidazol-2-yl)piperidine;dihydrochloride
SMILESCl.Cl.Cn1ccnc1N1CCCCC1
InChIInChI=1S/C9H15N3.2ClH/c1-11-8-5-10-9(11)12-6-3-2-4-7-12;;/h5,8H,2-4,6-7H2,1H3;2*1H
InChIKeyJBDDCOHPHFXGMP-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.25
Rot. Bonds1

About 1-(1-methylimidazol-2-yl)piperidine;dihydrochloride

1-(1-methylimidazol-2-yl)piperidine;dihydrochloride (PubChem CID 141222572) has the molecular formula C9H17Cl2N3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)piperidine;dihydrochloride.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)piperidine;dihydrochloride
PubChem CID141222572
Molecular FormulaC9H17Cl2N3
Molecular Weight238.16 g/mol
Exact Mass237.08
IUPAC Name1-(1-methylimidazol-2-yl)piperidine;dihydrochloride
SMILESCl.Cl.Cn1ccnc1N1CCCCC1
InChIInChI=1S/C9H15N3.2ClH/c1-11-8-5-10-9(11)12-6-3-2-4-7-12;;/h5,8H,2-4,6-7H2,1H3;2*1H
InChIKeyJBDDCOHPHFXGMP-UHFFFAOYSA-N
XLogP2.25
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-methylimidazol-2-yl)piperidine;dihydrochloride 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-methylimidazol-2-yl)piperidin-4-yl]methanamine
CID 62132388
[1-(1-methylimidazol-2-yl)piperidin-3-yl]methanamine
CID 62132389
3-[4-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-amine
CID 62132366
3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine
CID 80680560
3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid
CID 63136027
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 71779949
ethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate
CID 62131854
methyl-[1-(1-methylimidazol-2-yl)piperidin-4-yl]carbamic acid
CID 66798756
N-ethyl-1-[1-(1-methylimidazol-2-yl)piperidin-4-yl]ethanamine
CID 55256485
N'-hydroxy-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanimidamide
CID 77011953
1-(1-methylimidazol-2-yl)-4-(4-pyrazol-1-ylbutyl)piperazine
CID 19751693
3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid
CID 63136213

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)piperidine;dihydrochloride?
The IUPAC name of 1-(1-methylimidazol-2-yl)piperidine;dihydrochloride (CID 141222572) is 1-(1-methylimidazol-2-yl)piperidine;dihydrochloride.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)piperidine;dihydrochloride?
The canonical SMILES for 1-(1-methylimidazol-2-yl)piperidine;dihydrochloride is Cl.Cl.Cn1ccnc1N1CCCCC1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)piperidine;dihydrochloride?
The InChIKey is JBDDCOHPHFXGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.2ClH/c1-11-8-5-10-9(11)12-6-3-2-4-7-12;;/h5,8H,2-4,6-7H2,1H3;2*1H.
What are the key properties of 1-(1-methylimidazol-2-yl)piperidine;dihydrochloride?
1-(1-methylimidazol-2-yl)piperidine;dihydrochloride has a molecular weight of 238.16 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)piperidine;dihydrochloride is sourced from PubChem (CID 141222572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).