2-(7,9-dimethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride

C15H28ClNO2 — CID 24161

IUPAC2-(7,9-dimethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride
SMILESCC1CC(C)CC2(C1)OCC(C1CCCC[NH2+]1)O2.[Cl-]
InChIInChI=1S/C15H27NO2.ClH/c1-11-7-12(2)9-15(8-11)17-10-14(18-15)13-5-3-4-6-16-13;/h11-14,16H,3-10H2,1-2H3;1H
InChIKeyHMHKSRBAGTYNCS-UHFFFAOYSA-N
MW289.85 g/mol
LogP-1.33
Rot. Bonds1

About 2-(7,9-dimethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride

2-(7,9-dimethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride (PubChem CID 24161) has the molecular formula C15H28ClNO2 and a molecular weight of 289.85 g/mol. Its IUPAC name is 2-(7,9-dimethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride.

Molecular Properties

Compound Name2-(7,9-dimethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride
PubChem CID24161
Molecular FormulaC15H28ClNO2
Molecular Weight289.85 g/mol
Exact Mass289.18
IUPAC Name2-(7,9-dimethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride
SMILESCC1CC(C)CC2(C1)OCC(C1CCCC[NH2+]1)O2.[Cl-]
InChIInChI=1S/C15H27NO2.ClH/c1-11-7-12(2)9-15(8-11)17-10-14(18-15)13-5-3-4-6-16-13;/h11-14,16H,3-10H2,1-2H3;1H
InChIKeyHMHKSRBAGTYNCS-UHFFFAOYSA-N
XLogP-1.33
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 5-1.33
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-methyl-2-(2-piperidyl)-, hydrochloride
CID 24165
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
2-(8-tert-Butyl-1,4-dioxaspiro[4.5]decan-2-yl)piperidine--hydrogen chloride (1/1)
CID 138402068
2-(8-Methyl-1,4-dioxaspiro[4.5]decan-2-yl)piperidine--hydrogen chloride (1/1)
CID 138402070
2-(6-Ethyl-1,4-dioxaspiro[4.5]decan-2-yl)piperidine--hydrogen chloride (1/1)
CID 138402071
2-(7-Methyl-1,4-dioxaspiro[4.5]decan-2-yl)piperidine--hydrogen chloride (1/1)
CID 85994093
2-(6-Methyl-1,4-dioxaspiro[4.5]decan-2-yl)piperidine--hydrogen chloride (1/1)
CID 85994098

Frequently Asked Questions

What is the IUPAC name of 2-(7,9-dimethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
The IUPAC name of 2-(7,9-dimethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride (CID 24161) is 2-(7,9-dimethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride.
What is the SMILES notation for 2-(7,9-dimethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
The canonical SMILES for 2-(7,9-dimethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride is CC1CC(C)CC2(C1)OCC(C1CCCC[NH2+]1)O2.[Cl-].
What is the InChIKey of 2-(7,9-dimethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
The InChIKey is HMHKSRBAGTYNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2.ClH/c1-11-7-12(2)9-15(8-11)17-10-14(18-15)13-5-3-4-6-16-13;/h11-14,16H,3-10H2,1-2H3;1H.
What are the key properties of 2-(7,9-dimethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride?
2-(7,9-dimethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride has a molecular weight of 289.85 g/mol, XLogP of -1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,9-dimethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidin-1-ium chloride is sourced from PubChem (CID 24161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).