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

C13H24ClNO2 — CID 24195

IUPAC2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride
SMILESC1CCC2(CC1)OCC(C1CCCC[NH2+]1)O2.[Cl-]
InChIInChI=1S/C13H23NO2.ClH/c1-3-7-13(8-4-1)15-10-12(16-13)11-6-2-5-9-14-11;/h11-12,14H,1-10H2;1H
InChIKeyAXZOCQIHEMZCGO-UHFFFAOYSA-N
MW261.79 g/mol
LogP-1.82
Rot. Bonds1

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

2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride (PubChem CID 24195) has the molecular formula C13H24ClNO2 and a molecular weight of 261.79 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride
PubChem CID24195
Molecular FormulaC13H24ClNO2
Molecular Weight261.79 g/mol
Exact Mass261.15
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride
SMILESC1CCC2(CC1)OCC(C1CCCC[NH2+]1)O2.[Cl-]
InChIInChI=1S/C13H23NO2.ClH/c1-3-7-13(8-4-1)15-10-12(16-13)11-6-2-5-9-14-11;/h11-12,14H,1-10H2;1H
InChIKeyAXZOCQIHEMZCGO-UHFFFAOYSA-N
XLogP-1.82
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.79
LogP ≤ 5-1.82
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-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, 8-chloro-2-(2-piperidyl)-, hydrochloride, beta-
CID 48105
N-(1,4-dioxaspiro[4.5]dec-2-ylmethyl)cyclohexanamine
CID 2909404
1,4-Dioxaspiro(4.6)undecane, 2-(2-piperidyl)-, hydrochloride
CID 24155
1,4-Dioxaspiro(4.5)decane, 6-chloro-2-(2-piperidyl)-, hydrochloride, beta-
CID 24157
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, 7-chloro-2-(2-piperidyl)-, hydrochloride, alpha-
CID 48103
(2S)-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]piperidine
CID 44276259

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride (CID 24195) is 2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride is C1CCC2(CC1)OCC(C1CCCC[NH2+]1)O2.[Cl-].
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
The InChIKey is AXZOCQIHEMZCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2.ClH/c1-3-7-13(8-4-1)15-10-12(16-13)11-6-2-5-9-14-11;/h11-12,14H,1-10H2;1H.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride has a molecular weight of 261.79 g/mol, XLogP of -1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride is sourced from PubChem (CID 24195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).