2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidine;hydrochloride

C14H26ClNO2 — CID 138402066

IUPAC2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidine;hydrochloride
SMILESC1CCCC2(CC1)OCC(C1CCCCN1)O2.Cl
InChIInChI=1S/C14H25NO2.ClH/c1-2-5-9-14(8-4-1)16-11-13(17-14)12-7-3-6-10-15-12;/h12-13,15H,1-11H2;1H
InChIKeyCIMIDBQMXVBYFP-UHFFFAOYSA-N
MW275.82 g/mol
LogP3.02
Rot. Bonds1

About 2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidine;hydrochloride

2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidine;hydrochloride (PubChem CID 138402066) has the molecular formula C14H26ClNO2 and a molecular weight of 275.82 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidine;hydrochloride
PubChem CID138402066
Molecular FormulaC14H26ClNO2
Molecular Weight275.82 g/mol
Exact Mass275.17
IUPAC Name2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidine;hydrochloride
SMILESC1CCCC2(CC1)OCC(C1CCCCN1)O2.Cl
InChIInChI=1S/C14H25NO2.ClH/c1-2-5-9-14(8-4-1)16-11-13(17-14)12-7-3-6-10-15-12;/h12-13,15H,1-11H2;1H
InChIKeyCIMIDBQMXVBYFP-UHFFFAOYSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
CID 24164
(14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane
CID 135028450
(2S)-2-[(4S)-spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-yl]piperidine
CID 15749477
(3aR,4R,6aR)-4-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]
CID 154535606
2-cycloheptylpiperidine;hydrochloride
CID 115030388
(3S)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,2-dimethyl-1,2-oxazolidin-2-ium
CID 139206681
2-pyrrolidin-2-ylpiperidine
CID 14810994
2-(oxathiiran-3-yl)piperidine
CID 174861042
(3R)-3-[(2R)-2,5-dihydrofuran-2-yl]-1,4-dioxaspiro[4.5]decane
CID 135038138
2-(2-phenyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)piperidine
CID 25079413
2-cyclodecylazecane
CID 126739440
(2S)-2-cyclohexylpiperidine
CID 7016471

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidine;hydrochloride?
The IUPAC name of 2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidine;hydrochloride (CID 138402066) is 2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidine;hydrochloride.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidine;hydrochloride?
The canonical SMILES for 2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidine;hydrochloride is C1CCCC2(CC1)OCC(C1CCCCN1)O2.Cl.
What is the InChIKey of 2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidine;hydrochloride?
The InChIKey is CIMIDBQMXVBYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2.ClH/c1-2-5-9-14(8-4-1)16-11-13(17-14)12-7-3-6-10-15-12;/h12-13,15H,1-11H2;1H.
What are the key properties of 2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidine;hydrochloride?
2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidine;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 3.02, 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[4.6]undecan-3-yl)piperidine;hydrochloride is sourced from PubChem (CID 138402066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).