4-[2-(2-methylimidazol-1-yl)ethyl]piperidine;dihydrochloride

C11H21Cl2N3 — CID 75485569

IUPAC4-[2-(2-methylimidazol-1-yl)ethyl]piperidine;dihydrochloride
SMILESCc1nccn1CCC1CCNCC1.Cl.Cl
InChIInChI=1S/C11H19N3.2ClH/c1-10-13-7-9-14(10)8-4-11-2-5-12-6-3-11;;/h7,9,11-12H,2-6,8H2,1H3;2*1H
InChIKeySTEDBQZOIDYOHV-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.42
Rot. Bonds3

About 4-[2-(2-methylimidazol-1-yl)ethyl]piperidine;dihydrochloride

4-[2-(2-methylimidazol-1-yl)ethyl]piperidine;dihydrochloride (PubChem CID 75485569) has the molecular formula C11H21Cl2N3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 4-[2-(2-methylimidazol-1-yl)ethyl]piperidine;dihydrochloride.

Molecular Properties

Compound Name4-[2-(2-methylimidazol-1-yl)ethyl]piperidine;dihydrochloride
PubChem CID75485569
Molecular FormulaC11H21Cl2N3
Molecular Weight266.22 g/mol
Exact Mass265.11
IUPAC Name4-[2-(2-methylimidazol-1-yl)ethyl]piperidine;dihydrochloride
SMILESCc1nccn1CCC1CCNCC1.Cl.Cl
InChIInChI=1S/C11H19N3.2ClH/c1-10-13-7-9-14(10)8-4-11-2-5-12-6-3-11;;/h7,9,11-12H,2-6,8H2,1H3;2*1H
InChIKeySTEDBQZOIDYOHV-UHFFFAOYSA-N
XLogP2.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-(2-Methyl-1H-imidazol-1-yl)ethyl)piperidine
CID 6484685
3-(1H-imidazol-1-yl)piperidine
CID 50986280
1-(2-Ethylbutyl)-1H-imidazole
CID 44345907
4-(1H-Imidazol-2-yl)piperidine
CID 13281190
3-(2-ethyl-1H-imidazol-1-yl)piperidine
CID 54592639
4-(1H-imidazol-1-yl)piperidine
CID 15789922
3-(1H-imidazol-2-yl)piperidine
CID 13281195
1-[(1-methyl-1H-imidazol-2-yl)methyl]piperazine
CID 43112093
4-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 63554068
1-methyl-2-(pyrrolidin-3-yl)-1H-imidazole
CID 69121108
3-[2-(propan-2-yl)-1H-imidazol-1-yl]piperidine
CID 54592640
2-pentan-3-yl-1H-imidazole
CID 241106

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylimidazol-1-yl)ethyl]piperidine;dihydrochloride?
The IUPAC name of 4-[2-(2-methylimidazol-1-yl)ethyl]piperidine;dihydrochloride (CID 75485569) is 4-[2-(2-methylimidazol-1-yl)ethyl]piperidine;dihydrochloride.
What is the SMILES notation for 4-[2-(2-methylimidazol-1-yl)ethyl]piperidine;dihydrochloride?
The canonical SMILES for 4-[2-(2-methylimidazol-1-yl)ethyl]piperidine;dihydrochloride is Cc1nccn1CCC1CCNCC1.Cl.Cl.
What is the InChIKey of 4-[2-(2-methylimidazol-1-yl)ethyl]piperidine;dihydrochloride?
The InChIKey is STEDBQZOIDYOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3.2ClH/c1-10-13-7-9-14(10)8-4-11-2-5-12-6-3-11;;/h7,9,11-12H,2-6,8H2,1H3;2*1H.
What are the key properties of 4-[2-(2-methylimidazol-1-yl)ethyl]piperidine;dihydrochloride?
4-[2-(2-methylimidazol-1-yl)ethyl]piperidine;dihydrochloride has a molecular weight of 266.22 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylimidazol-1-yl)ethyl]piperidine;dihydrochloride is sourced from PubChem (CID 75485569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).