4-tert-butyl-1-[(1,5-dimethylimidazol-2-yl)methyl]-4-methylpiperidine

C16H29N3 — CID 129174546

IUPAC4-tert-butyl-1-[(1,5-dimethylimidazol-2-yl)methyl]-4-methylpiperidine
SMILESCc1cnc(CN2CCC(C)(C(C)(C)C)CC2)n1C
InChIInChI=1S/C16H29N3/c1-13-11-17-14(18(13)6)12-19-9-7-16(5,8-10-19)15(2,3)4/h11H,7-10,12H2,1-6H3
InChIKeyUPDMBMGUZOWZGH-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.38
Rot. Bonds2

About 4-tert-butyl-1-[(1,5-dimethylimidazol-2-yl)methyl]-4-methylpiperidine

4-tert-butyl-1-[(1,5-dimethylimidazol-2-yl)methyl]-4-methylpiperidine (PubChem CID 129174546) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-tert-butyl-1-[(1,5-dimethylimidazol-2-yl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-1-[(1,5-dimethylimidazol-2-yl)methyl]-4-methylpiperidine
PubChem CID129174546
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name4-tert-butyl-1-[(1,5-dimethylimidazol-2-yl)methyl]-4-methylpiperidine
SMILESCc1cnc(CN2CCC(C)(C(C)(C)C)CC2)n1C
InChIInChI=1S/C16H29N3/c1-13-11-17-14(18(13)6)12-19-9-7-16(5,8-10-19)15(2,3)4/h11H,7-10,12H2,1-6H3
InChIKeyUPDMBMGUZOWZGH-UHFFFAOYSA-N
XLogP3.38
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(1,5-dimethylimidazol-2-yl)methyl]-4-methylpiperidine?
The IUPAC name of 4-tert-butyl-1-[(1,5-dimethylimidazol-2-yl)methyl]-4-methylpiperidine (CID 129174546) is 4-tert-butyl-1-[(1,5-dimethylimidazol-2-yl)methyl]-4-methylpiperidine.
What is the SMILES notation for 4-tert-butyl-1-[(1,5-dimethylimidazol-2-yl)methyl]-4-methylpiperidine?
The canonical SMILES for 4-tert-butyl-1-[(1,5-dimethylimidazol-2-yl)methyl]-4-methylpiperidine is Cc1cnc(CN2CCC(C)(C(C)(C)C)CC2)n1C.
What is the InChIKey of 4-tert-butyl-1-[(1,5-dimethylimidazol-2-yl)methyl]-4-methylpiperidine?
The InChIKey is UPDMBMGUZOWZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-13-11-17-14(18(13)6)12-19-9-7-16(5,8-10-19)15(2,3)4/h11H,7-10,12H2,1-6H3.
What are the key properties of 4-tert-butyl-1-[(1,5-dimethylimidazol-2-yl)methyl]-4-methylpiperidine?
4-tert-butyl-1-[(1,5-dimethylimidazol-2-yl)methyl]-4-methylpiperidine has a molecular weight of 263.43 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(1,5-dimethylimidazol-2-yl)methyl]-4-methylpiperidine is sourced from PubChem (CID 129174546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).