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

C20H36ClNO2 — CID 24032

IUPAC2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride
SMILESC1CCC(C2(C3CCCCC3)OCC(C3CCCC[NH2+]3)O2)CC1.[Cl-]
InChIInChI=1S/C20H35NO2.ClH/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18;/h16-19,21H,1-15H2;1H
InChIKeySRGHXTFXZRXTBH-UHFFFAOYSA-N
MW357.97 g/mol
LogP0.38
Rot. Bonds3

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

2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride (PubChem CID 24032) has the molecular formula C20H36ClNO2 and a molecular weight of 357.97 g/mol. Its IUPAC name is 2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride.

Molecular Properties

Compound Name2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride
PubChem CID24032
Molecular FormulaC20H36ClNO2
Molecular Weight357.97 g/mol
Exact Mass357.24
IUPAC Name2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride
SMILESC1CCC(C2(C3CCCCC3)OCC(C3CCCC[NH2+]3)O2)CC1.[Cl-]
InChIInChI=1S/C20H35NO2.ClH/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18;/h16-19,21H,1-15H2;1H
InChIKeySRGHXTFXZRXTBH-UHFFFAOYSA-N
XLogP0.38
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.97
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride?
The IUPAC name of 2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride (CID 24032) is 2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride.
What is the SMILES notation for 2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride?
The canonical SMILES for 2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride is C1CCC(C2(C3CCCCC3)OCC(C3CCCC[NH2+]3)O2)CC1.[Cl-].
What is the InChIKey of 2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride?
The InChIKey is SRGHXTFXZRXTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2.ClH/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18;/h16-19,21H,1-15H2;1H.
What are the key properties of 2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride?
2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride has a molecular weight of 357.97 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride is sourced from PubChem (CID 24032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).