4-tert-butyl-1,4-diethylpiperidine

C13H27N — CID 122664542

IUPAC4-tert-butyl-1,4-diethylpiperidine
SMILESCCN1CCC(CC)(C(C)(C)C)CC1
InChIInChI=1S/C13H27N/c1-6-13(12(3,4)5)8-10-14(7-2)11-9-13/h6-11H2,1-5H3
InChIKeyPKXPIAQFTLBWJK-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds2

About 4-tert-butyl-1,4-diethylpiperidine

4-tert-butyl-1,4-diethylpiperidine (PubChem CID 122664542) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 4-tert-butyl-1,4-diethylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-1,4-diethylpiperidine
PubChem CID122664542
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name4-tert-butyl-1,4-diethylpiperidine
SMILESCCN1CCC(CC)(C(C)(C)C)CC1
InChIInChI=1S/C13H27N/c1-6-13(12(3,4)5)8-10-14(7-2)11-9-13/h6-11H2,1-5H3
InChIKeyPKXPIAQFTLBWJK-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 4-tert-butyl-1,4-diethylpiperidine 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-tert-butyl-1-ethylcyclopropane
CID 58798513
4-tert-butyl-1-[2,2-dimethyl-3-(1-methylazetidin-3-yl)propyl]-4-ethylpiperidine
CID 167213975
3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
1,4-diethyl-4-iodopiperidine
CID 118535824
1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine
CID 58364990
1-ethyl-4,4-dimethylpiperidine;hydrate
CID 178113144
4-(1,1-difluoroethyl)-1-ethylpiperidin-4-ol
CID 175639257
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
5-ethyl-2,2,8,8-tetramethyl-10-oxa-5-azabicyclo[7.1.0]decane
CID 91349138
1-ethyl-4-fluoro-4-iodopiperidine
CID 147786451
4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile
CID 22972970
1,4-diethylpiperazine;sulfane
CID 177062456

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,4-diethylpiperidine?
The IUPAC name of 4-tert-butyl-1,4-diethylpiperidine (CID 122664542) is 4-tert-butyl-1,4-diethylpiperidine.
What is the SMILES notation for 4-tert-butyl-1,4-diethylpiperidine?
The canonical SMILES for 4-tert-butyl-1,4-diethylpiperidine is CCN1CCC(CC)(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1,4-diethylpiperidine?
The InChIKey is PKXPIAQFTLBWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-6-13(12(3,4)5)8-10-14(7-2)11-9-13/h6-11H2,1-5H3.
What are the key properties of 4-tert-butyl-1,4-diethylpiperidine?
4-tert-butyl-1,4-diethylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,4-diethylpiperidine is sourced from PubChem (CID 122664542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).