1-[(2,3-dimethylimidazol-4-yl)methyl]-4-methyl-4-propylpiperidine

C15H27N3 — CID 144941390

IUPAC1-[(2,3-dimethylimidazol-4-yl)methyl]-4-methyl-4-propylpiperidine
SMILESCCCC1(C)CCN(Cc2cnc(C)n2C)CC1
InChIInChI=1S/C15H27N3/c1-5-6-15(3)7-9-18(10-8-15)12-14-11-16-13(2)17(14)4/h11H,5-10,12H2,1-4H3
InChIKeyBUDAYLHHHFULIN-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.13
Rot. Bonds4

About 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-methyl-4-propylpiperidine

1-[(2,3-dimethylimidazol-4-yl)methyl]-4-methyl-4-propylpiperidine (PubChem CID 144941390) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-methyl-4-propylpiperidine.

Molecular Properties

Compound Name1-[(2,3-dimethylimidazol-4-yl)methyl]-4-methyl-4-propylpiperidine
PubChem CID144941390
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-[(2,3-dimethylimidazol-4-yl)methyl]-4-methyl-4-propylpiperidine
SMILESCCCC1(C)CCN(Cc2cnc(C)n2C)CC1
InChIInChI=1S/C15H27N3/c1-5-6-15(3)7-9-18(10-8-15)12-14-11-16-13(2)17(14)4/h11H,5-10,12H2,1-4H3
InChIKeyBUDAYLHHHFULIN-UHFFFAOYSA-N
XLogP3.13
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-methyl-4-propylpiperidine?
The IUPAC name of 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-methyl-4-propylpiperidine (CID 144941390) is 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-methyl-4-propylpiperidine.
What is the SMILES notation for 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-methyl-4-propylpiperidine?
The canonical SMILES for 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-methyl-4-propylpiperidine is CCCC1(C)CCN(Cc2cnc(C)n2C)CC1.
What is the InChIKey of 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-methyl-4-propylpiperidine?
The InChIKey is BUDAYLHHHFULIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-6-15(3)7-9-18(10-8-15)12-14-11-16-13(2)17(14)4/h11H,5-10,12H2,1-4H3.
What are the key properties of 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-methyl-4-propylpiperidine?
1-[(2,3-dimethylimidazol-4-yl)methyl]-4-methyl-4-propylpiperidine has a molecular weight of 249.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-methyl-4-propylpiperidine is sourced from PubChem (CID 144941390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).