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

C22H28ClNO2 — CID 19325

IUPAC2-(2-benzhydryl-2-methyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride
SMILESCC1(C(c2ccccc2)c2ccccc2)OCC(C2CCCC[NH2+]2)O1.[Cl-]
InChIInChI=1S/C22H27NO2.ClH/c1-22(24-16-20(25-22)19-14-8-9-15-23-19)21(17-10-4-2-5-11-17)18-12-6-3-7-13-18;/h2-7,10-13,19-21,23H,8-9,14-16H2,1H3;1H
InChIKeyZRHLPVRRLUANQR-UHFFFAOYSA-N
MW373.92 g/mol
LogP0.07
Rot. Bonds4

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

2-(2-benzhydryl-2-methyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride (PubChem CID 19325) has the molecular formula C22H28ClNO2 and a molecular weight of 373.92 g/mol. Its IUPAC name is 2-(2-benzhydryl-2-methyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride.

Molecular Properties

Compound Name2-(2-benzhydryl-2-methyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride
PubChem CID19325
Molecular FormulaC22H28ClNO2
Molecular Weight373.92 g/mol
Exact Mass373.18
IUPAC Name2-(2-benzhydryl-2-methyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride
SMILESCC1(C(c2ccccc2)c2ccccc2)OCC(C2CCCC[NH2+]2)O1.[Cl-]
InChIInChI=1S/C22H27NO2.ClH/c1-22(24-16-20(25-22)19-14-8-9-15-23-19)21(17-10-4-2-5-11-17)18-12-6-3-7-13-18;/h2-7,10-13,19-21,23H,8-9,14-16H2,1H3;1H
InChIKeyZRHLPVRRLUANQR-UHFFFAOYSA-N
XLogP0.07
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.92
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 14208378
Dexoxadrol Hydrochloride
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Levoxadrol Hydrochloride
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G922A8S2QV
CID 52941919
(2S)-2-[(2S,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]piperidine
CID 15749446
(2S)-2-[(2S,4S)-2-phenyl-2-propyl-1,3-dioxolan-4-yl]piperidine
CID 15749447
(2S)-2-[(2S,4S)-2-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl]piperidine
CID 15749448
(2S)-2-[(2S,4S)-2-butyl-2-phenyl-1,3-dioxolan-4-yl]piperidine
CID 15749449

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzhydryl-2-methyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride?
The IUPAC name of 2-(2-benzhydryl-2-methyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride (CID 19325) is 2-(2-benzhydryl-2-methyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride.
What is the SMILES notation for 2-(2-benzhydryl-2-methyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride?
The canonical SMILES for 2-(2-benzhydryl-2-methyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride is CC1(C(c2ccccc2)c2ccccc2)OCC(C2CCCC[NH2+]2)O1.[Cl-].
What is the InChIKey of 2-(2-benzhydryl-2-methyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride?
The InChIKey is ZRHLPVRRLUANQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2.ClH/c1-22(24-16-20(25-22)19-14-8-9-15-23-19)21(17-10-4-2-5-11-17)18-12-6-3-7-13-18;/h2-7,10-13,19-21,23H,8-9,14-16H2,1H3;1H.
What are the key properties of 2-(2-benzhydryl-2-methyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride?
2-(2-benzhydryl-2-methyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride has a molecular weight of 373.92 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzhydryl-2-methyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride is sourced from PubChem (CID 19325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).