(2R)-1-ethoxy-3-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]propan-2-ol

C14H22N2O2 — CID 100705663

IUPAC(2R)-1-ethoxy-3-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]propan-2-ol
SMILESCCOC[C@H](O)CN1CC[C@H](c2ccccn2)C1
InChIInChI=1S/C14H22N2O2/c1-2-18-11-13(17)10-16-8-6-12(9-16)14-5-3-4-7-15-14/h3-5,7,12-13,17H,2,6,8-11H2,1H3/t12-,13+/m0/s1
InChIKeyCSQLBMVRESQGGG-QWHCGFSZSA-N
MW250.34 g/mol
LogP1.27
Rot. Bonds6

About (2R)-1-ethoxy-3-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]propan-2-ol

(2R)-1-ethoxy-3-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]propan-2-ol (PubChem CID 100705663) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-1-ethoxy-3-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-ethoxy-3-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]propan-2-ol
PubChem CID100705663
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2R)-1-ethoxy-3-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]propan-2-ol
SMILESCCOC[C@H](O)CN1CC[C@H](c2ccccn2)C1
InChIInChI=1S/C14H22N2O2/c1-2-18-11-13(17)10-16-8-6-12(9-16)14-5-3-4-7-15-14/h3-5,7,12-13,17H,2,6,8-11H2,1H3/t12-,13+/m0/s1
InChIKeyCSQLBMVRESQGGG-QWHCGFSZSA-N
XLogP1.27
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3774471
1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 115688731
1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol
CID 115688741
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 94824860
1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 79089781
1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 111437418
1-ethoxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol
CID 63933575
(2S)-1-ethoxy-3-[4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-2-ol
CID 97213571
1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 126514523
1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol
CID 79038151
1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 111122489
(2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 95336881

Frequently Asked Questions

What is the IUPAC name of (2R)-1-ethoxy-3-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-ethoxy-3-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]propan-2-ol (CID 100705663) is (2R)-1-ethoxy-3-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-ethoxy-3-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-ethoxy-3-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]propan-2-ol is CCOC[C@H](O)CN1CC[C@H](c2ccccn2)C1.
What is the InChIKey of (2R)-1-ethoxy-3-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]propan-2-ol?
The InChIKey is CSQLBMVRESQGGG-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-18-11-13(17)10-16-8-6-12(9-16)14-5-3-4-7-15-14/h3-5,7,12-13,17H,2,6,8-11H2,1H3/t12-,13+/m0/s1.
What are the key properties of (2R)-1-ethoxy-3-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]propan-2-ol?
(2R)-1-ethoxy-3-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]propan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-ethoxy-3-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 100705663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).