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

C13H23Cl2NO2 — CID 24157

IUPAC2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride
SMILESClC1CCCCC12OCC(C1CCCC[NH2+]1)O2.[Cl-]
InChIInChI=1S/C13H22ClNO2.ClH/c14-12-6-1-3-7-13(12)16-9-11(17-13)10-5-2-4-8-15-10;/h10-12,15H,1-9H2;1H
InChIKeyOGSBFXFLMDXYIC-UHFFFAOYSA-N
MW296.24 g/mol
LogP-1.60
Rot. Bonds1

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

2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride (PubChem CID 24157) has the molecular formula C13H23Cl2NO2 and a molecular weight of 296.24 g/mol. Its IUPAC name is 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride.

Molecular Properties

Compound Name2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride
PubChem CID24157
Molecular FormulaC13H23Cl2NO2
Molecular Weight296.24 g/mol
Exact Mass295.11
IUPAC Name2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride
SMILESClC1CCCCC12OCC(C1CCCC[NH2+]1)O2.[Cl-]
InChIInChI=1S/C13H22ClNO2.ClH/c14-12-6-1-3-7-13(12)16-9-11(17-13)10-5-2-4-8-15-10;/h10-12,15H,1-9H2;1H
InChIKeyOGSBFXFLMDXYIC-UHFFFAOYSA-N
XLogP-1.60
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 5-1.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Dioxaspiro(4.5)decane, 8-chloro-2-(2-piperidyl)-, hydrochloride, beta-
CID 48105
1,4-Dioxaspiro(4.5)decane, 2-(2-piperidyl)-, hydrochloride
CID 24195
1,4-Dioxaspiro(4.5)decane, 7-chloro-2-(2-piperidyl)-, hydrochloride, alpha-
CID 48103
2-(6-Chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
CID 24158
2-(1,4-Dioxaspiro[4.5]decan-3-yl)piperidine
CID 24196
2-(7-Chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
CID 48104
2-(8-Chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
CID 48106
2-(8-Chloro-1,4-dioxaspiro[4.5]decan-2-yl)piperidine--hydrogen chloride (1/1)
CID 138401087
2-(7-Chloro-1,4-dioxaspiro[4.5]decan-2-yl)piperidine--hydrogen chloride (1/1)
CID 138401086
2-(6-Chloro-1,4-dioxaspiro[4.5]decan-2-yl)piperidine--hydrogen chloride (1/1)
CID 138402067
2-(1,4-Dioxaspiro[4.5]decan-2-yl)piperidine--hydrogen chloride (1/1)
CID 138402083

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
The IUPAC name of 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride (CID 24157) is 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride.
What is the SMILES notation for 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
The canonical SMILES for 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride is ClC1CCCCC12OCC(C1CCCC[NH2+]1)O2.[Cl-].
What is the InChIKey of 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
The InChIKey is OGSBFXFLMDXYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO2.ClH/c14-12-6-1-3-7-13(12)16-9-11(17-13)10-5-2-4-8-15-10;/h10-12,15H,1-9H2;1H.
What are the key properties of 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride has a molecular weight of 296.24 g/mol, XLogP of -1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride is sourced from PubChem (CID 24157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).