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

C13H24ClNO2 — CID 138402083

IUPAC2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride
SMILESC1CCC2(CC1)OCC(C1CCCCN1)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
LogP2.63
Rot. Bonds1

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

2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride (PubChem CID 138402083) 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)piperidine;hydrochloride.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride
PubChem CID138402083
Molecular FormulaC13H24ClNO2
Molecular Weight261.79 g/mol
Exact Mass261.15
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride
SMILESC1CCC2(CC1)OCC(C1CCCCN1)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
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.79
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride (CID 138402083) is 2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride is C1CCC2(CC1)OCC(C1CCCCN1)O2.Cl.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride?
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)piperidine;hydrochloride?
2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride has a molecular weight of 261.79 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride is sourced from PubChem (CID 138402083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).