1-tert-butyl-2,3,5-trimethylpiperidine

C12H25N — CID 175525228

IUPAC1-tert-butyl-2,3,5-trimethylpiperidine
SMILESCC1CC(C)C(C)N(C(C)(C)C)C1
InChIInChI=1S/C12H25N/c1-9-7-10(2)11(3)13(8-9)12(4,5)6/h9-11H,7-8H2,1-6H3
InChIKeyRZQLVNVHWLJRFB-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.15
Rot. Bonds

About 1-tert-butyl-2,3,5-trimethylpiperidine

1-tert-butyl-2,3,5-trimethylpiperidine (PubChem CID 175525228) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-tert-butyl-2,3,5-trimethylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-2,3,5-trimethylpiperidine
PubChem CID175525228
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-tert-butyl-2,3,5-trimethylpiperidine
SMILESCC1CC(C)C(C)N(C(C)(C)C)C1
InChIInChI=1S/C12H25N/c1-9-7-10(2)11(3)13(8-9)12(4,5)6/h9-11H,7-8H2,1-6H3
InChIKeyRZQLVNVHWLJRFB-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-tert-butyl-2,3,5-trimethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3,5-trimethylpiperidine?
The IUPAC name of 1-tert-butyl-2,3,5-trimethylpiperidine (CID 175525228) is 1-tert-butyl-2,3,5-trimethylpiperidine.
What is the SMILES notation for 1-tert-butyl-2,3,5-trimethylpiperidine?
The canonical SMILES for 1-tert-butyl-2,3,5-trimethylpiperidine is CC1CC(C)C(C)N(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-2,3,5-trimethylpiperidine?
The InChIKey is RZQLVNVHWLJRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-9-7-10(2)11(3)13(8-9)12(4,5)6/h9-11H,7-8H2,1-6H3.
What are the key properties of 1-tert-butyl-2,3,5-trimethylpiperidine?
1-tert-butyl-2,3,5-trimethylpiperidine has a molecular weight of 183.34 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3,5-trimethylpiperidine is sourced from PubChem (CID 175525228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).