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

C15H28ClNO2 — CID 138402071

IUPAC2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride
SMILESCCC1CCCCC12OCC(C1CCCCN1)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
LogP3.26
Rot. Bonds2

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

2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride (PubChem CID 138402071) 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)piperidine;hydrochloride.

Molecular Properties

Compound Name2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride
PubChem CID138402071
Molecular FormulaC15H28ClNO2
Molecular Weight289.85 g/mol
Exact Mass289.18
IUPAC Name2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride
SMILESCCC1CCCCC12OCC(C1CCCCN1)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
XLogP3.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride?
The IUPAC name of 2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride (CID 138402071) is 2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride.
What is the SMILES notation for 2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride?
The canonical SMILES for 2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride is CCC1CCCCC12OCC(C1CCCCN1)O2.Cl.
What is the InChIKey of 2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride?
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)piperidine;hydrochloride?
2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride has a molecular weight of 289.85 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride is sourced from PubChem (CID 138402071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).