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

C22H41NO2 — CID 14990477

IUPAC1-[3-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)propyl]-2-ethylpiperidine
SMILESCCC1CCCCN1CCCC1COC2(CCC(C(C)(C)C)CC2)O1
InChIInChI=1S/C22H41NO2/c1-5-19-9-6-7-15-23(19)16-8-10-20-17-24-22(25-20)13-11-18(12-14-22)21(2,3)4/h18-20H,5-17H2,1-4H3
InChIKeyDAQGXMLYHFFXMH-UHFFFAOYSA-N
MW351.58 g/mol
LogP5.38
Rot. Bonds5

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

1-[3-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)propyl]-2-ethylpiperidine (PubChem CID 14990477) has the molecular formula C22H41NO2 and a molecular weight of 351.58 g/mol. Its IUPAC name is 1-[3-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)propyl]-2-ethylpiperidine.

Molecular Properties

Compound Name1-[3-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)propyl]-2-ethylpiperidine
PubChem CID14990477
Molecular FormulaC22H41NO2
Molecular Weight351.58 g/mol
Exact Mass351.31
IUPAC Name1-[3-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)propyl]-2-ethylpiperidine
SMILESCCC1CCCCN1CCCC1COC2(CCC(C(C)(C)C)CC2)O1
InChIInChI=1S/C22H41NO2/c1-5-19-9-6-7-15-23(19)16-8-10-20-17-24-22(25-20)13-11-18(12-14-22)21(2,3)4/h18-20H,5-17H2,1-4H3
InChIKeyDAQGXMLYHFFXMH-UHFFFAOYSA-N
XLogP5.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]morpholine
CID 14990428
1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine
CID 14990401
4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]-2,6-dimethylmorpholine
CID 14990429
1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine
CID 14990393
1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine
CID 142064985
5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 65257728
1-dodecyl-2-ethylpiperidine
CID 171569899
2-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-2-yl]ethanol
CID 62021772
N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine
CID 104689524
2-ethyl-1-nonylpiperidine;hydrofluoride
CID 175849535
4-(2-ethylpiperidin-1-yl)butan-1-ol
CID 43509675
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599

Frequently Asked Questions

What is the IUPAC name of 1-[3-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)propyl]-2-ethylpiperidine?
The IUPAC name of 1-[3-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)propyl]-2-ethylpiperidine (CID 14990477) is 1-[3-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)propyl]-2-ethylpiperidine.
What is the SMILES notation for 1-[3-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)propyl]-2-ethylpiperidine?
The canonical SMILES for 1-[3-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)propyl]-2-ethylpiperidine is CCC1CCCCN1CCCC1COC2(CCC(C(C)(C)C)CC2)O1.
What is the InChIKey of 1-[3-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)propyl]-2-ethylpiperidine?
The InChIKey is DAQGXMLYHFFXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO2/c1-5-19-9-6-7-15-23(19)16-8-10-20-17-24-22(25-20)13-11-18(12-14-22)21(2,3)4/h18-20H,5-17H2,1-4H3.
What are the key properties of 1-[3-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)propyl]-2-ethylpiperidine?
1-[3-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)propyl]-2-ethylpiperidine has a molecular weight of 351.58 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)propyl]-2-ethylpiperidine is sourced from PubChem (CID 14990477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).