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

C17H31NO2 — CID 24160

IUPAC2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
SMILESCC(C)(C)C1CCC2(CC1)OCC(C1CCCCN1)O2
InChIInChI=1S/C17H31NO2/c1-16(2,3)13-7-9-17(10-8-13)19-12-15(20-17)14-6-4-5-11-18-14/h13-15,18H,4-12H2,1-3H3
InChIKeyKZUOLAKBJHYWFA-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.48
Rot. Bonds1

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

2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine (PubChem CID 24160) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine.

Molecular Properties

Compound Name2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
PubChem CID24160
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
SMILESCC(C)(C)C1CCC2(CC1)OCC(C1CCCCN1)O2
InChIInChI=1S/C17H31NO2/c1-16(2,3)13-7-9-17(10-8-13)19-12-15(20-17)14-6-4-5-11-18-14/h13-15,18H,4-12H2,1-3H3
InChIKeyKZUOLAKBJHYWFA-UHFFFAOYSA-N
XLogP3.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Spiroxamine-desethyl
CID 14990451
Spiroxamine-despropyl
CID 102298117
2-(2,2-Dicyclohexyl-1,3-dioxolan-4-yl)piperidine--hydrogen chloride (1/1)
CID 24032
1,4-Dioxaspiro(4.5)decane, 8-tert-butyl-2-(2-piperidyl)-, hydrochloride, alpha-
CID 24159
1,4-Dioxaspiro(4.5)decane, 8-methyl-2-(2-piperidyl)-, hydrochloride
CID 24163
1,4-Dioxaspiro(4.5)decane, 6-ethyl-2-(2-piperidyl)-, hydrochloride, beta-
CID 24167
1,4-Dioxaspiro(4.5)decane, 7,9-dimethyl-2-(2-piperidyl)-, hydrochloride
CID 24161
1,4-Dioxaspiro(4.5)decane, 7-methyl-2-(2-piperidyl)-, hydrochloride
CID 24165
1,4-Dioxaspiro(4.5)decane, 6-methyl-2-(2-piperidyl)-, hydrochloride
CID 24169
4-(1,4-Dioxaspiro[4.5]decan-8-yl)piperidine
CID 90420900
2-(2,2-Dicyclohexyl-1,3-dioxolan-4-yl)piperidine
CID 24033
2-(7,9-Dimethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
CID 24162

Frequently Asked Questions

What is the IUPAC name of 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine?
The IUPAC name of 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine (CID 24160) is 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine.
What is the SMILES notation for 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine?
The canonical SMILES for 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine is CC(C)(C)C1CCC2(CC1)OCC(C1CCCCN1)O2.
What is the InChIKey of 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine?
The InChIKey is KZUOLAKBJHYWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-16(2,3)13-7-9-17(10-8-13)19-12-15(20-17)14-6-4-5-11-18-14/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine?
2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine has a molecular weight of 281.44 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine is sourced from PubChem (CID 24160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).