2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidin-1-ium chloride

C14H26ClNO2 — CID 24155

IUPAC2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidin-1-ium chloride
SMILESC1CCCC2(CC1)OCC(C1CCCC[NH2+]1)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
LogP-1.43
Rot. Bonds1

About 2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidin-1-ium chloride

2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidin-1-ium chloride (PubChem CID 24155) 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)piperidin-1-ium chloride.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidin-1-ium chloride
PubChem CID24155
Molecular FormulaC14H26ClNO2
Molecular Weight275.82 g/mol
Exact Mass275.17
IUPAC Name2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidin-1-ium chloride
SMILESC1CCCC2(CC1)OCC(C1CCCC[NH2+]1)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
XLogP-1.43
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dioxaspiro(4.5)decane, 2-(2-piperidyl)-, hydrochloride
CID 24195
(2S)-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]piperidine
CID 44276259
2-(1,4-Dioxaspiro[4.6]undecan-2-yl)piperidine--hydrogen chloride (1/1)
CID 138402066
2-(2-Methyl-1,3-dioxolan-2-yl)piperidine
CID 129910706
2-(1,4-Dioxaspiro[4.6]undecan-3-yl)piperidine
CID 24156
2-(1,4-Dioxaspiro[4.5]decan-3-yl)piperidine
CID 24196
1-(2,2-difluoroethyl)-N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)piperidin-4-amine
CID 75520198
1-(2,2-difluoroethyl)-N-[[(3S)-1,4-dioxaspiro[4.6]undecan-3-yl]methyl]piperidin-4-amine
CID 97813300
1-(2,2-difluoroethyl)-N-[[(3R)-1,4-dioxaspiro[4.6]undecan-3-yl]methyl]piperidin-4-amine
CID 97813301
8-Azaspiro[bicyclo[3.2.1]octane-3,2'-[1,3]dioxolane]
CID 22339720
3-Methoxy-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]piperidine
CID 168812267
1-(1,4-Dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidin-1-ium
CID 5243171

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidin-1-ium chloride?
The IUPAC name of 2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidin-1-ium chloride (CID 24155) is 2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidin-1-ium chloride.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidin-1-ium chloride?
The canonical SMILES for 2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidin-1-ium chloride is C1CCCC2(CC1)OCC(C1CCCC[NH2+]1)O2.[Cl-].
What is the InChIKey of 2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidin-1-ium chloride?
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)piperidin-1-ium chloride?
2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidin-1-ium chloride has a molecular weight of 275.82 g/mol, XLogP of -1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidin-1-ium chloride is sourced from PubChem (CID 24155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).