2-(2-methyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride

C15H22ClNO2 — CID 21020

IUPAC2-(2-methyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride
SMILESCC1(c2ccccc2)OCC(C2CCCC[NH2+]2)O1.[Cl-]
InChIInChI=1S/C15H21NO2.ClH/c1-15(12-7-3-2-4-8-12)17-11-14(18-15)13-9-5-6-10-16-13;/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3;1H
InChIKeyPKRKZGJTFLIHIV-UHFFFAOYSA-N
MW283.80 g/mol
LogP-1.61
Rot. Bonds2

About 2-(2-methyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride

2-(2-methyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride (PubChem CID 21020) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-(2-methyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride.

Molecular Properties

Compound Name2-(2-methyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride
PubChem CID21020
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-(2-methyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride
SMILESCC1(c2ccccc2)OCC(C2CCCC[NH2+]2)O1.[Cl-]
InChIInChI=1S/C15H21NO2.ClH/c1-15(12-7-3-2-4-8-12)17-11-14(18-15)13-9-5-6-10-16-13;/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3;1H
InChIKeyPKRKZGJTFLIHIV-UHFFFAOYSA-N
XLogP-1.61
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride?
The IUPAC name of 2-(2-methyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride (CID 21020) is 2-(2-methyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride.
What is the SMILES notation for 2-(2-methyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride?
The canonical SMILES for 2-(2-methyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride is CC1(c2ccccc2)OCC(C2CCCC[NH2+]2)O1.[Cl-].
What is the InChIKey of 2-(2-methyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride?
The InChIKey is PKRKZGJTFLIHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/c1-15(12-7-3-2-4-8-12)17-11-14(18-15)13-9-5-6-10-16-13;/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3;1H.
What are the key properties of 2-(2-methyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride?
2-(2-methyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride has a molecular weight of 283.80 g/mol, XLogP of -1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride is sourced from PubChem (CID 21020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).