1-(2,2-dimethylpropyl)-4-imidazol-1-ylpiperidine

C13H23N3 — CID 58877698

IUPAC1-(2,2-dimethylpropyl)-4-imidazol-1-ylpiperidine
SMILESCC(C)(C)CN1CCC(n2ccnc2)CC1
InChIInChI=1S/C13H23N3/c1-13(2,3)10-15-7-4-12(5-8-15)16-9-6-14-11-16/h6,9,11-12H,4-5,7-8,10H2,1-3H3
InChIKeyPRZLCNYUKKEIBE-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.57
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-4-imidazol-1-ylpiperidine

1-(2,2-dimethylpropyl)-4-imidazol-1-ylpiperidine (PubChem CID 58877698) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-imidazol-1-ylpiperidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-imidazol-1-ylpiperidine
PubChem CID58877698
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(2,2-dimethylpropyl)-4-imidazol-1-ylpiperidine
SMILESCC(C)(C)CN1CCC(n2ccnc2)CC1
InChIInChI=1S/C13H23N3/c1-13(2,3)10-15-7-4-12(5-8-15)16-9-6-14-11-16/h6,9,11-12H,4-5,7-8,10H2,1-3H3
InChIKeyPRZLCNYUKKEIBE-UHFFFAOYSA-N
XLogP2.57
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-imidazol-1-ylpiperidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-imidazol-1-ylpiperidine (CID 58877698) is 1-(2,2-dimethylpropyl)-4-imidazol-1-ylpiperidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-imidazol-1-ylpiperidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-imidazol-1-ylpiperidine is CC(C)(C)CN1CCC(n2ccnc2)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-imidazol-1-ylpiperidine?
The InChIKey is PRZLCNYUKKEIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-13(2,3)10-15-7-4-12(5-8-15)16-9-6-14-11-16/h6,9,11-12H,4-5,7-8,10H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-imidazol-1-ylpiperidine?
1-(2,2-dimethylpropyl)-4-imidazol-1-ylpiperidine has a molecular weight of 221.35 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-imidazol-1-ylpiperidine is sourced from PubChem (CID 58877698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).