1,4-ditert-butylpiperidine

C13H27N — CID 12722194

IUPAC1,4-ditert-butylpiperidine
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H27N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h11H,7-10H2,1-6H3
InChIKeyDAZLXPUSMBNBGA-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds

About 1,4-ditert-butylpiperidine

1,4-ditert-butylpiperidine (PubChem CID 12722194) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1,4-ditert-butylpiperidine.

Molecular Properties

Compound Name1,4-ditert-butylpiperidine
PubChem CID12722194
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1,4-ditert-butylpiperidine
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H27N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h11H,7-10H2,1-6H3
InChIKeyDAZLXPUSMBNBGA-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,4-ditert-butylpiperidine with MolForge

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

Launch Full Analysis

Related Compounds

1,3,3-Trimethylpiperidine
CID 12413605
Piperidine, 1,3,3,5,5-pentamethyl-
CID 13700390
1,4,4-Trimethylpiperidine
CID 136794
(3S,4S)-3-ethyl-1-(2-fluoroethyl)-4-(fluoromethyl)-3-methylpiperidine
CID 178101296
4-Tert-butyl-1-ethylpiperidine
CID 287952
Piperidine, 1,2,2,4-tetramethyl-
CID 23423757
Piperidine, 4-(1,1-dimethylethyl)-1-methyl-
CID 435047
1-(tert-Butyl)-3-methyl-piperidine
CID 587674
(3R,4R)-1,3,4-trimethylpiperidine
CID 642616
(3R,4S)-1,3,4-trimethylpiperidine
CID 642617
1,3,4-Trimethylpiperidine
CID 14454423
1-Ethyl-3,3-dimethylpiperidine
CID 21606938

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butylpiperidine?
The IUPAC name of 1,4-ditert-butylpiperidine (CID 12722194) is 1,4-ditert-butylpiperidine.
What is the SMILES notation for 1,4-ditert-butylpiperidine?
The canonical SMILES for 1,4-ditert-butylpiperidine is CC(C)(C)C1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1,4-ditert-butylpiperidine?
The InChIKey is DAZLXPUSMBNBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of 1,4-ditert-butylpiperidine?
1,4-ditert-butylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butylpiperidine is sourced from PubChem (CID 12722194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).