1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine

C21H39NO2 — CID 14990401

IUPAC1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine
SMILESCCC1CCCN(CCC2COC3(CCC(C(C)(C)C)CC3)O2)C1
InChIInChI=1S/C21H39NO2/c1-5-17-7-6-13-22(15-17)14-10-19-16-23-21(24-19)11-8-18(9-12-21)20(2,3)4/h17-19H,5-16H2,1-4H3
InChIKeyRIKPHEHWCKVCLL-UHFFFAOYSA-N
MW337.55 g/mol
LogP4.85
Rot. Bonds4

About 1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine

1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine (PubChem CID 14990401) has the molecular formula C21H39NO2 and a molecular weight of 337.55 g/mol. Its IUPAC name is 1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine.

Molecular Properties

Compound Name1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine
PubChem CID14990401
Molecular FormulaC21H39NO2
Molecular Weight337.55 g/mol
Exact Mass337.30
IUPAC Name1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine
SMILESCCC1CCCN(CCC2COC3(CCC(C(C)(C)C)CC3)O2)C1
InChIInChI=1S/C21H39NO2/c1-5-17-7-6-13-22(15-17)14-10-19-16-23-21(24-19)11-8-18(9-12-21)20(2,3)4/h17-19H,5-16H2,1-4H3
InChIKeyRIKPHEHWCKVCLL-UHFFFAOYSA-N
XLogP4.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.55
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine 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

3-methyl-1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]piperidine
CID 14990389
1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine
CID 14990393
1-[3-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)propyl]-2-ethylpiperidine
CID 14990477
4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]morpholine
CID 14990428
4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]-2,6-dimethylmorpholine
CID 14990429
[4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine
CID 43584372
1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine
CID 142064985
3-ethyl-1-[[6-methyl-8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine
CID 14990454
1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine
CID 62624076
2-[2-(3-ethylpiperidin-1-yl)ethyl]morpholine
CID 66427069
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820
2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79566331

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine?
The IUPAC name of 1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine (CID 14990401) is 1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine.
What is the SMILES notation for 1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine?
The canonical SMILES for 1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine is CCC1CCCN(CCC2COC3(CCC(C(C)(C)C)CC3)O2)C1.
What is the InChIKey of 1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine?
The InChIKey is RIKPHEHWCKVCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO2/c1-5-17-7-6-13-22(15-17)14-10-19-16-23-21(24-19)11-8-18(9-12-21)20(2,3)4/h17-19H,5-16H2,1-4H3.
What are the key properties of 1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine?
1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine has a molecular weight of 337.55 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine is sourced from PubChem (CID 14990401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).