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

C22H41NO2 — CID 14990389

IUPAC3-methyl-1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]piperidine
SMILESCCCC(C)(C)C1CCC2(CC1)OCC(CCN1CCCC(C)C1)O2
InChIInChI=1S/C22H41NO2/c1-5-11-21(3,4)19-8-12-22(13-9-19)24-17-20(25-22)10-15-23-14-6-7-18(2)16-23/h18-20H,5-17H2,1-4H3
InChIKeyCZYPUAMDVFODRK-UHFFFAOYSA-N
MW351.58 g/mol
LogP5.24
Rot. Bonds6

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

3-methyl-1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]piperidine (PubChem CID 14990389) has the molecular formula C22H41NO2 and a molecular weight of 351.58 g/mol. Its IUPAC name is 3-methyl-1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]piperidine.

Molecular Properties

Compound Name3-methyl-1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]piperidine
PubChem CID14990389
Molecular FormulaC22H41NO2
Molecular Weight351.58 g/mol
Exact Mass351.31
IUPAC Name3-methyl-1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]piperidine
SMILESCCCC(C)(C)C1CCC2(CC1)OCC(CCN1CCCC(C)C1)O2
InChIInChI=1S/C22H41NO2/c1-5-11-21(3,4)19-8-12-22(13-9-19)24-17-20(25-22)10-15-23-14-6-7-18(2)16-23/h18-20H,5-17H2,1-4H3
InChIKeyCZYPUAMDVFODRK-UHFFFAOYSA-N
XLogP5.24
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine
CID 14990393
1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine
CID 14990401
ethane;3-methyl-1-propylpiperidine
CID 156729460
3-methyl-1-propylpiperidine;propane
CID 145147959
3-ethyl-1-[[6-methyl-8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine
CID 14990454
4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]morpholine
CID 14990428
3-propyl-1,4-dioxaspiro[4.4]nonane
CID 14592507
1-[3-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)propyl]-2-ethylpiperidine
CID 14990477
3-methyl-1-(2-piperidin-4-ylethyl)piperidine;dihydrochloride
CID 56831695
1-butyl-3-methylpiperidine;ethane
CID 143349503
3-methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 77147847
(8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine
CID 82777122

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]piperidine?
The IUPAC name of 3-methyl-1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]piperidine (CID 14990389) is 3-methyl-1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]piperidine.
What is the SMILES notation for 3-methyl-1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]piperidine?
The canonical SMILES for 3-methyl-1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]piperidine is CCCC(C)(C)C1CCC2(CC1)OCC(CCN1CCCC(C)C1)O2.
What is the InChIKey of 3-methyl-1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]piperidine?
The InChIKey is CZYPUAMDVFODRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO2/c1-5-11-21(3,4)19-8-12-22(13-9-19)24-17-20(25-22)10-15-23-14-6-7-18(2)16-23/h18-20H,5-17H2,1-4H3.
What are the key properties of 3-methyl-1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]piperidine?
3-methyl-1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]piperidine has a molecular weight of 351.58 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]piperidine is sourced from PubChem (CID 14990389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).