1-pyrrolidin-1-ylpropan-2-yl 2,2-diphenylacetate;hydrochloride

C21H26ClNO2 — CID 24746800

IUPAC1-pyrrolidin-1-ylpropan-2-yl 2,2-diphenylacetate;hydrochloride
SMILESCC(CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H25NO2.ClH/c1-17(16-22-14-8-9-15-22)24-21(23)20(18-10-4-2-5-11-18)19-12-6-3-7-13-19;/h2-7,10-13,17,20H,8-9,14-16H2,1H3;1H
InChIKeyTZDLXXHCACBRJE-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.27
Rot. Bonds6

About 1-pyrrolidin-1-ylpropan-2-yl 2,2-diphenylacetate;hydrochloride

1-pyrrolidin-1-ylpropan-2-yl 2,2-diphenylacetate;hydrochloride (PubChem CID 24746800) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylpropan-2-yl 2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Name1-pyrrolidin-1-ylpropan-2-yl 2,2-diphenylacetate;hydrochloride
PubChem CID24746800
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC Name1-pyrrolidin-1-ylpropan-2-yl 2,2-diphenylacetate;hydrochloride
SMILESCC(CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H25NO2.ClH/c1-17(16-22-14-8-9-15-22)24-21(23)20(18-10-4-2-5-11-18)19-12-6-3-7-13-19;/h2-7,10-13,17,20H,8-9,14-16H2,1H3;1H
InChIKeyTZDLXXHCACBRJE-UHFFFAOYSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Piperidolate
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Proadifen
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Piperidolate Hydrochloride
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Caramiphen
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Fenbutrazate
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Butamirate
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Butetamate
CID 27368

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylpropan-2-yl 2,2-diphenylacetate;hydrochloride?
The IUPAC name of 1-pyrrolidin-1-ylpropan-2-yl 2,2-diphenylacetate;hydrochloride (CID 24746800) is 1-pyrrolidin-1-ylpropan-2-yl 2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for 1-pyrrolidin-1-ylpropan-2-yl 2,2-diphenylacetate;hydrochloride?
The canonical SMILES for 1-pyrrolidin-1-ylpropan-2-yl 2,2-diphenylacetate;hydrochloride is CC(CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 1-pyrrolidin-1-ylpropan-2-yl 2,2-diphenylacetate;hydrochloride?
The InChIKey is TZDLXXHCACBRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2.ClH/c1-17(16-22-14-8-9-15-22)24-21(23)20(18-10-4-2-5-11-18)19-12-6-3-7-13-19;/h2-7,10-13,17,20H,8-9,14-16H2,1H3;1H.
What are the key properties of 1-pyrrolidin-1-ylpropan-2-yl 2,2-diphenylacetate;hydrochloride?
1-pyrrolidin-1-ylpropan-2-yl 2,2-diphenylacetate;hydrochloride has a molecular weight of 359.90 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylpropan-2-yl 2,2-diphenylacetate;hydrochloride is sourced from PubChem (CID 24746800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).