3-[5-methyl-1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridine;dihydrochloride

C15H22Cl2N4 — CID 146064750

IUPAC3-[5-methyl-1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridine;dihydrochloride
SMILESCc1cnc(-c2cccnc2)n1CC1CCNCC1.Cl.Cl
InChIInChI=1S/C15H20N4.2ClH/c1-12-9-18-15(14-3-2-6-17-10-14)19(12)11-13-4-7-16-8-5-13;;/h2-3,6,9-10,13,16H,4-5,7-8,11H2,1H3;2*1H
InChIKeyHYCNXNVBNKEIIM-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.10
Rot. Bonds3

About 3-[5-methyl-1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridine;dihydrochloride

3-[5-methyl-1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridine;dihydrochloride (PubChem CID 146064750) has the molecular formula C15H22Cl2N4 and a molecular weight of 329.28 g/mol. Its IUPAC name is 3-[5-methyl-1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridine;dihydrochloride.

Molecular Properties

Compound Name3-[5-methyl-1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridine;dihydrochloride
PubChem CID146064750
Molecular FormulaC15H22Cl2N4
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name3-[5-methyl-1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridine;dihydrochloride
SMILESCc1cnc(-c2cccnc2)n1CC1CCNCC1.Cl.Cl
InChIInChI=1S/C15H20N4.2ClH/c1-12-9-18-15(14-3-2-6-17-10-14)19(12)11-13-4-7-16-8-5-13;;/h2-3,6,9-10,13,16H,4-5,7-8,11H2,1H3;2*1H
InChIKeyHYCNXNVBNKEIIM-UHFFFAOYSA-N
XLogP3.10
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridine;dihydrochloride?
The IUPAC name of 3-[5-methyl-1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridine;dihydrochloride (CID 146064750) is 3-[5-methyl-1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridine;dihydrochloride.
What is the SMILES notation for 3-[5-methyl-1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridine;dihydrochloride?
The canonical SMILES for 3-[5-methyl-1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridine;dihydrochloride is Cc1cnc(-c2cccnc2)n1CC1CCNCC1.Cl.Cl.
What is the InChIKey of 3-[5-methyl-1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridine;dihydrochloride?
The InChIKey is HYCNXNVBNKEIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4.2ClH/c1-12-9-18-15(14-3-2-6-17-10-14)19(12)11-13-4-7-16-8-5-13;;/h2-3,6,9-10,13,16H,4-5,7-8,11H2,1H3;2*1H.
What are the key properties of 3-[5-methyl-1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridine;dihydrochloride?
3-[5-methyl-1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridine;dihydrochloride has a molecular weight of 329.28 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridine;dihydrochloride is sourced from PubChem (CID 146064750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).