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

C17H32ClNO2 — CID 24159

IUPAC2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride
SMILESCC(C)(C)C1CCC2(CC1)OCC(C1CCCC[NH2+]1)O2.[Cl-]
InChIInChI=1S/C17H31NO2.ClH/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;1H
InChIKeyNVEPDRUJHSRYTB-UHFFFAOYSA-N
MW317.90 g/mol
LogP-0.55
Rot. Bonds1

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

2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride (PubChem CID 24159) has the molecular formula C17H32ClNO2 and a molecular weight of 317.90 g/mol. Its IUPAC name is 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride.

Molecular Properties

Compound Name2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride
PubChem CID24159
Molecular FormulaC17H32ClNO2
Molecular Weight317.90 g/mol
Exact Mass317.21
IUPAC Name2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride
SMILESCC(C)(C)C1CCC2(CC1)OCC(C1CCCC[NH2+]1)O2.[Cl-]
InChIInChI=1S/C17H31NO2.ClH/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;1H
InChIKeyNVEPDRUJHSRYTB-UHFFFAOYSA-N
XLogP-0.55
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.90
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-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
2-(2,2-Dicyclohexyl-1,3-dioxolan-4-yl)piperidine
CID 24033
2-(8-Tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
CID 24160
2-(7,9-Dimethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
CID 24162
2-(8-Methyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
CID 24164

Frequently Asked Questions

What is the IUPAC name of 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
The IUPAC name of 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride (CID 24159) is 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride.
What is the SMILES notation for 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
The canonical SMILES for 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride is CC(C)(C)C1CCC2(CC1)OCC(C1CCCC[NH2+]1)O2.[Cl-].
What is the InChIKey of 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
The InChIKey is NVEPDRUJHSRYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2.ClH/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;1H.
What are the key properties of 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride has a molecular weight of 317.90 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride is sourced from PubChem (CID 24159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).