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

C14H20ClNO2 — CID 24021

IUPAC2-(2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride
SMILES[Cl-].c1ccc(C2OCC(C3CCCC[NH2+]3)O2)cc1
InChIInChI=1S/C14H19NO2.ClH/c1-2-6-11(7-3-1)14-16-10-13(17-14)12-8-4-5-9-15-12;/h1-3,6-7,12-15H,4-5,8-10H2;1H
InChIKeyGDTWAJPAQKQIFT-UHFFFAOYSA-N
MW269.77 g/mol
LogP-1.78
Rot. Bonds2

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

2-(2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride (PubChem CID 24021) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride.

Molecular Properties

Compound Name2-(2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride
PubChem CID24021
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride
SMILES[Cl-].c1ccc(C2OCC(C3CCCC[NH2+]3)O2)cc1
InChIInChI=1S/C14H19NO2.ClH/c1-2-6-11(7-3-1)14-16-10-13(17-14)12-8-4-5-9-15-12;/h1-3,6-7,12-15H,4-5,8-10H2;1H
InChIKeyGDTWAJPAQKQIFT-UHFFFAOYSA-N
XLogP-1.78
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 5-1.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride?
The IUPAC name of 2-(2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride (CID 24021) is 2-(2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride.
What is the SMILES notation for 2-(2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride?
The canonical SMILES for 2-(2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride is [Cl-].c1ccc(C2OCC(C3CCCC[NH2+]3)O2)cc1.
What is the InChIKey of 2-(2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride?
The InChIKey is GDTWAJPAQKQIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-2-6-11(7-3-1)14-16-10-13(17-14)12-8-4-5-9-15-12;/h1-3,6-7,12-15H,4-5,8-10H2;1H.
What are the key properties of 2-(2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride?
2-(2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride has a molecular weight of 269.77 g/mol, XLogP of -1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride is sourced from PubChem (CID 24021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).