2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride

C15H28ClNO2 — CID 24167

IUPAC2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride
SMILESCCC1CCCCC12OCC(C1CCCC[NH2+]1)O2.[Cl-]
InChIInChI=1S/C15H27NO2.ClH/c1-2-12-7-3-5-9-15(12)17-11-14(18-15)13-8-4-6-10-16-13;/h12-14,16H,2-11H2,1H3;1H
InChIKeyFRTRJYJARCUCEB-UHFFFAOYSA-N
MW289.85 g/mol
LogP-1.18
Rot. Bonds2

About 2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride

2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride (PubChem CID 24167) has the molecular formula C15H28ClNO2 and a molecular weight of 289.85 g/mol. Its IUPAC name is 2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride.

Molecular Properties

Compound Name2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride
PubChem CID24167
Molecular FormulaC15H28ClNO2
Molecular Weight289.85 g/mol
Exact Mass289.18
IUPAC Name2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride
SMILESCCC1CCCCC12OCC(C1CCCC[NH2+]1)O2.[Cl-]
InChIInChI=1S/C15H27NO2.ClH/c1-2-12-7-3-5-9-15(12)17-11-14(18-15)13-8-4-6-10-16-13;/h12-14,16H,2-11H2,1H3;1H
InChIKeyFRTRJYJARCUCEB-UHFFFAOYSA-N
XLogP-1.18
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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, 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
1,4-Dioxaspiro(4.5)decane, 2-(2-piperidyl)-, hydrochloride
CID 24195
(2S)-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]piperidine
CID 44276259
[2-(1,4-Dioxaspiro[4.5]dec-6-yl)ethyl]isopropylamine
CID 86002444
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

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
The IUPAC name of 2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride (CID 24167) is 2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride.
What is the SMILES notation for 2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
The canonical SMILES for 2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride is CCC1CCCCC12OCC(C1CCCC[NH2+]1)O2.[Cl-].
What is the InChIKey of 2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
The InChIKey is FRTRJYJARCUCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2.ClH/c1-2-12-7-3-5-9-15(12)17-11-14(18-15)13-8-4-6-10-16-13;/h12-14,16H,2-11H2,1H3;1H.
What are the key properties of 2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride has a molecular weight of 289.85 g/mol, XLogP of -1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride is sourced from PubChem (CID 24167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).