(2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol

C21H27NO2 — CID 51975293

IUPAC(2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESO[C@@H](COCC(c1ccccc1)c1ccccc1)CN1CCCC1
InChIInChI=1S/C21H27NO2/c23-20(15-22-13-7-8-14-22)16-24-17-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20-21,23H,7-8,13-17H2/t20-/m1/s1
InChIKeyOLQZNKGKOVMKOR-HXUWFJFHSA-N
MW325.45 g/mol
LogP3.29
Rot. Bonds8

About (2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol

(2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 51975293) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID51975293
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESO[C@@H](COCC(c1ccccc1)c1ccccc1)CN1CCCC1
InChIInChI=1S/C21H27NO2/c23-20(15-22-13-7-8-14-22)16-24-17-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20-21,23H,7-8,13-17H2/t20-/m1/s1
InChIKeyOLQZNKGKOVMKOR-HXUWFJFHSA-N
XLogP3.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol
CID 43865699
(2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol
CID 7388824
1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 2988766
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
(2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol
CID 7393596
(2S)-1-[(2-fluorophenyl)methoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 2314434
1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729010
(2S)-1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 942774
1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2771920

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol (CID 51975293) is (2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol is O[C@@H](COCC(c1ccccc1)c1ccccc1)CN1CCCC1.
What is the InChIKey of (2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is OLQZNKGKOVMKOR-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27NO2/c23-20(15-22-13-7-8-14-22)16-24-17-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20-21,23H,7-8,13-17H2/t20-/m1/s1.
What are the key properties of (2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol?
(2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 325.45 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 51975293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).