2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride

C13H23Cl2NO2 — CID 138402067

IUPAC2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride
SMILESCl.ClC1CCCCC12OCC(C1CCCCN1)O2
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
LogP2.84
Rot. Bonds1

About 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride

2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride (PubChem CID 138402067) 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)piperidine;hydrochloride.

Molecular Properties

Compound Name2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride
PubChem CID138402067
Molecular FormulaC13H23Cl2NO2
Molecular Weight296.24 g/mol
Exact Mass295.11
IUPAC Name2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride
SMILESCl.ClC1CCCCC12OCC(C1CCCCN1)O2
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
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride?
The IUPAC name of 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride (CID 138402067) is 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride.
What is the SMILES notation for 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride?
The canonical SMILES for 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride is Cl.ClC1CCCCC12OCC(C1CCCCN1)O2.
What is the InChIKey of 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride?
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)piperidine;hydrochloride?
2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride has a molecular weight of 296.24 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride is sourced from PubChem (CID 138402067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).