1-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine;hydrochloride

C20H24ClNO2 — CID 157418968

IUPAC1-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine;hydrochloride
SMILESCl.c1ccc(C2(c3ccccc3)OCC(N3CCCCC3)O2)cc1
InChIInChI=1S/C20H23NO2.ClH/c1-4-10-17(11-5-1)20(18-12-6-2-7-13-18)22-16-19(23-20)21-14-8-3-9-15-21;/h1-2,4-7,10-13,19H,3,8-9,14-16H2;1H
InChIKeyBPEKNTNRESDOFT-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.17
Rot. Bonds3

About 1-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine;hydrochloride

1-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine;hydrochloride (PubChem CID 157418968) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine;hydrochloride
PubChem CID157418968
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name1-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine;hydrochloride
SMILESCl.c1ccc(C2(c3ccccc3)OCC(N3CCCCC3)O2)cc1
InChIInChI=1S/C20H23NO2.ClH/c1-4-10-17(11-5-1)20(18-12-6-2-7-13-18)22-16-19(23-20)21-14-8-3-9-15-21;/h1-2,4-7,10-13,19H,3,8-9,14-16H2;1H
InChIKeyBPEKNTNRESDOFT-UHFFFAOYSA-N
XLogP4.17
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclohexyl-2-phenyl-1,3-dioxan-5-yl)piperidine;hydrochloride
CID 3052092
4-bromo-2,2-diphenyl-1,3-dioxolane
CID 175223631
4-ethyl-2,2-diphenyl-1,3-dioxolane
CID 123665979
[(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium
CID 45266333
[(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium iodide
CID 45266332
2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-yl]-N,N-diethylethanamine
CID 122236798
1-(3-phenyloxetan-3-yl)piperidine
CID 141379975
1-(2,3-dihydro-1,4-benzodioxin-3-yl)piperidine
CID 54425684
(4R)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane
CID 139148658
2-(diethylamino)-1-[2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-1-yl]ethanone
CID 145453191
2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-1-methyl-1-oxidopiperidin-1-ium
CID 145453284
1-phenyl-2-pyrrolidin-1-ylcyclopropane-1-carboxamide;hydrochloride
CID 175899155

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine;hydrochloride?
The IUPAC name of 1-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine;hydrochloride (CID 157418968) is 1-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine;hydrochloride.
What is the SMILES notation for 1-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine;hydrochloride?
The canonical SMILES for 1-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine;hydrochloride is Cl.c1ccc(C2(c3ccccc3)OCC(N3CCCCC3)O2)cc1.
What is the InChIKey of 1-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine;hydrochloride?
The InChIKey is BPEKNTNRESDOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2.ClH/c1-4-10-17(11-5-1)20(18-12-6-2-7-13-18)22-16-19(23-20)21-14-8-3-9-15-21;/h1-2,4-7,10-13,19H,3,8-9,14-16H2;1H.
What are the key properties of 1-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine;hydrochloride?
1-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine;hydrochloride is sourced from PubChem (CID 157418968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).