3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine;dihydrochloride

C14H25Cl2N3O — CID 146064738

IUPAC3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine;dihydrochloride
SMILESCc1cnc(C2CCOCC2)n1C1CCCNC1.Cl.Cl
InChIInChI=1S/C14H23N3O.2ClH/c1-11-9-16-14(12-4-7-18-8-5-12)17(11)13-3-2-6-15-10-13;;/h9,12-13,15H,2-8,10H2,1H3;2*1H
InChIKeyAPPPJVBCYBICIF-UHFFFAOYSA-N
MW322.28 g/mol
LogP2.85
Rot. Bonds2

About 3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine;dihydrochloride

3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine;dihydrochloride (PubChem CID 146064738) has the molecular formula C14H25Cl2N3O and a molecular weight of 322.28 g/mol. Its IUPAC name is 3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine;dihydrochloride.

Molecular Properties

Compound Name3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine;dihydrochloride
PubChem CID146064738
Molecular FormulaC14H25Cl2N3O
Molecular Weight322.28 g/mol
Exact Mass321.14
IUPAC Name3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine;dihydrochloride
SMILESCc1cnc(C2CCOCC2)n1C1CCCNC1.Cl.Cl
InChIInChI=1S/C14H23N3O.2ClH/c1-11-9-16-14(12-4-7-18-8-5-12)17(11)13-3-2-6-15-10-13;;/h9,12-13,15H,2-8,10H2,1H3;2*1H
InChIKeyAPPPJVBCYBICIF-UHFFFAOYSA-N
XLogP2.85
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine;dihydrochloride?
The IUPAC name of 3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine;dihydrochloride (CID 146064738) is 3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine;dihydrochloride.
What is the SMILES notation for 3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine;dihydrochloride?
The canonical SMILES for 3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine;dihydrochloride is Cc1cnc(C2CCOCC2)n1C1CCCNC1.Cl.Cl.
What is the InChIKey of 3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine;dihydrochloride?
The InChIKey is APPPJVBCYBICIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.2ClH/c1-11-9-16-14(12-4-7-18-8-5-12)17(11)13-3-2-6-15-10-13;;/h9,12-13,15H,2-8,10H2,1H3;2*1H.
What are the key properties of 3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine;dihydrochloride?
3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine;dihydrochloride has a molecular weight of 322.28 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine;dihydrochloride is sourced from PubChem (CID 146064738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).