2-(7-methyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride

C14H26ClNO2 — CID 24165

IUPAC2-(7-methyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride
SMILESCC1CCCC2(C1)OCC(C1CCCC[NH2+]1)O2.[Cl-]
InChIInChI=1S/C14H25NO2.ClH/c1-11-5-4-7-14(9-11)16-10-13(17-14)12-6-2-3-8-15-12;/h11-13,15H,2-10H2,1H3;1H
InChIKeyQVQJUARGVNDOTQ-UHFFFAOYSA-N
MW275.82 g/mol
LogP-1.57
Rot. Bonds1

About 2-(7-methyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride

2-(7-methyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride (PubChem CID 24165) has the molecular formula C14H26ClNO2 and a molecular weight of 275.82 g/mol. Its IUPAC name is 2-(7-methyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride.

Molecular Properties

Compound Name2-(7-methyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride
PubChem CID24165
Molecular FormulaC14H26ClNO2
Molecular Weight275.82 g/mol
Exact Mass275.17
IUPAC Name2-(7-methyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride
SMILESCC1CCCC2(C1)OCC(C1CCCC[NH2+]1)O2.[Cl-]
InChIInChI=1S/C14H25NO2.ClH/c1-11-5-4-7-14(9-11)16-10-13(17-14)12-6-2-3-8-15-12;/h11-13,15H,2-10H2,1H3;1H
InChIKeyQVQJUARGVNDOTQ-UHFFFAOYSA-N
XLogP-1.57
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 ≤ 5-1.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-Dicyclohexyl-1,3-dioxolan-4-yl)piperidine--hydrogen chloride (1/1)
CID 24032
1,4-Dioxaspiro(4.5)decane, 8-tert-butyl-2-(2-piperidyl)-, hydrochloride, alpha-
CID 24159
1,4-Dioxaspiro(4.5)decane, 8-methyl-2-(2-piperidyl)-, hydrochloride
CID 24163
1,4-Dioxaspiro(4.5)decane, 6-ethyl-2-(2-piperidyl)-, hydrochloride, beta-
CID 24167
1,4-Dioxaspiro(4.5)decane, 7,9-dimethyl-2-(2-piperidyl)-, hydrochloride
CID 24161
1,4-Dioxaspiro(4.5)decane, 6-methyl-2-(2-piperidyl)-, hydrochloride
CID 24169
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-(2,2-Dicyclohexyl-1,3-dioxolan-4-yl)piperidine
CID 24033
2-(8-Tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
CID 24160
2-(7,9-Dimethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
CID 24162
2-(8-Methyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
CID 24164

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
The IUPAC name of 2-(7-methyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride (CID 24165) is 2-(7-methyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride.
What is the SMILES notation for 2-(7-methyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
The canonical SMILES for 2-(7-methyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride is CC1CCCC2(C1)OCC(C1CCCC[NH2+]1)O2.[Cl-].
What is the InChIKey of 2-(7-methyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
The InChIKey is QVQJUARGVNDOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2.ClH/c1-11-5-4-7-14(9-11)16-10-13(17-14)12-6-2-3-8-15-12;/h11-13,15H,2-10H2,1H3;1H.
What are the key properties of 2-(7-methyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
2-(7-methyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride has a molecular weight of 275.82 g/mol, XLogP of -1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride is sourced from PubChem (CID 24165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).