1,1-diphenyl-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol;hydrochloride

C21H28ClNO — CID 54604951

IUPAC1,1-diphenyl-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol;hydrochloride
SMILESCC(C)N1CCC(CC(O)(c2ccccc2)c2ccccc2)C1.Cl
InChIInChI=1S/C21H27NO.ClH/c1-17(2)22-14-13-18(16-22)15-21(23,19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,17-18,23H,13-16H2,1-2H3;1H
InChIKeyGUTOTUVLPUMCNU-UHFFFAOYSA-N
MW345.91 g/mol
LogP4.46
Rot. Bonds5

About 1,1-diphenyl-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol;hydrochloride

1,1-diphenyl-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol;hydrochloride (PubChem CID 54604951) has the molecular formula C21H28ClNO and a molecular weight of 345.91 g/mol. Its IUPAC name is 1,1-diphenyl-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name1,1-diphenyl-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol;hydrochloride
PubChem CID54604951
Molecular FormulaC21H28ClNO
Molecular Weight345.91 g/mol
Exact Mass345.19
IUPAC Name1,1-diphenyl-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol;hydrochloride
SMILESCC(C)N1CCC(CC(O)(c2ccccc2)c2ccccc2)C1.Cl
InChIInChI=1S/C21H27NO.ClH/c1-17(2)22-14-13-18(16-22)15-21(23,19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,17-18,23H,13-16H2,1-2H3;1H
InChIKeyGUTOTUVLPUMCNU-UHFFFAOYSA-N
XLogP4.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.91
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methylpiperidin-4-yl)-1,1-diphenylethanol;hydrochloride
CID 54609205
2-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol
CID 45271007
2-cyclohexyl-1,1-diphenylethanol
CID 177391647
1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61206975
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 61209300
2-hydroxy-2,2-diphenyl-N-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methyl]acetamide
CID 11567829
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine
CID 164918393
(2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 124811415
(2R)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetamide
CID 125491837

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol;hydrochloride?
The IUPAC name of 1,1-diphenyl-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol;hydrochloride (CID 54604951) is 1,1-diphenyl-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol;hydrochloride.
What is the SMILES notation for 1,1-diphenyl-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol;hydrochloride?
The canonical SMILES for 1,1-diphenyl-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol;hydrochloride is CC(C)N1CCC(CC(O)(c2ccccc2)c2ccccc2)C1.Cl.
What is the InChIKey of 1,1-diphenyl-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol;hydrochloride?
The InChIKey is GUTOTUVLPUMCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO.ClH/c1-17(2)22-14-13-18(16-22)15-21(23,19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,17-18,23H,13-16H2,1-2H3;1H.
What are the key properties of 1,1-diphenyl-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol;hydrochloride?
1,1-diphenyl-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol;hydrochloride has a molecular weight of 345.91 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol;hydrochloride is sourced from PubChem (CID 54604951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).