3-ethyl-1-[[6-methyl-8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine

C23H43NO2 — CID 14990454

IUPAC3-ethyl-1-[[6-methyl-8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine
SMILESCCCC(C)(C)C1CCC2(OCC(CN3CCCC(CC)C3)O2)C(C)C1
InChIInChI=1S/C23H43NO2/c1-6-11-22(4,5)20-10-12-23(18(3)14-20)25-17-21(26-23)16-24-13-8-9-19(7-2)15-24/h18-21H,6-17H2,1-5H3
InChIKeyQRSUSLVZDODTJK-UHFFFAOYSA-N
MW365.60 g/mol
LogP5.48
Rot. Bonds6

About 3-ethyl-1-[[6-methyl-8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine

3-ethyl-1-[[6-methyl-8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine (PubChem CID 14990454) has the molecular formula C23H43NO2 and a molecular weight of 365.60 g/mol. Its IUPAC name is 3-ethyl-1-[[6-methyl-8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine.

Molecular Properties

Compound Name3-ethyl-1-[[6-methyl-8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine
PubChem CID14990454
Molecular FormulaC23H43NO2
Molecular Weight365.60 g/mol
Exact Mass365.33
IUPAC Name3-ethyl-1-[[6-methyl-8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine
SMILESCCCC(C)(C)C1CCC2(OCC(CN3CCCC(CC)C3)O2)C(C)C1
InChIInChI=1S/C23H43NO2/c1-6-11-22(4,5)20-10-12-23(18(3)14-20)25-17-21(26-23)16-24-13-8-9-19(7-2)15-24/h18-21H,6-17H2,1-5H3
InChIKeyQRSUSLVZDODTJK-UHFFFAOYSA-N
XLogP5.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.60
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-[[6-methyl-8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine with MolForge

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Related Compounds

1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine
CID 14990401
3-methyl-1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]piperidine
CID 14990389
1-(cyclobutylmethyl)-3-ethylpiperidine
CID 143174975
1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine
CID 14990393
4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 66453803
2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal
CID 62276202
6-[(3-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79848579
3-ethyl-1-[(4-fluorocyclohexyl)methyl]piperidine
CID 163155823
1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine
CID 62624076
3-ethyl-1-(2,2,3,4-tetramethylpentyl)piperidine
CID 134317869
4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454924
4-ethyl-2-[(3-ethylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 62616464

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[6-methyl-8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine?
The IUPAC name of 3-ethyl-1-[[6-methyl-8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine (CID 14990454) is 3-ethyl-1-[[6-methyl-8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine.
What is the SMILES notation for 3-ethyl-1-[[6-methyl-8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine?
The canonical SMILES for 3-ethyl-1-[[6-methyl-8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine is CCCC(C)(C)C1CCC2(OCC(CN3CCCC(CC)C3)O2)C(C)C1.
What is the InChIKey of 3-ethyl-1-[[6-methyl-8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine?
The InChIKey is QRSUSLVZDODTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43NO2/c1-6-11-22(4,5)20-10-12-23(18(3)14-20)25-17-21(26-23)16-24-13-8-9-19(7-2)15-24/h18-21H,6-17H2,1-5H3.
What are the key properties of 3-ethyl-1-[[6-methyl-8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine?
3-ethyl-1-[[6-methyl-8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine has a molecular weight of 365.60 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[6-methyl-8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine is sourced from PubChem (CID 14990454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).