(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol

C17H27NO2 — CID 94824860

IUPAC(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol
SMILESCC(C)(C)OC[C@H](O)CN1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C17H27NO2/c1-17(2,3)20-13-16(19)12-18-10-9-15(11-18)14-7-5-4-6-8-14/h4-8,15-16,19H,9-13H2,1-3H3/t15-,16+/m0/s1
InChIKeyLFDIQXNWYYONHD-JKSUJKDBSA-N
MW277.41 g/mol
LogP2.65
Rot. Bonds5

About (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol

(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol (PubChem CID 94824860) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol
PubChem CID94824860
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol
SMILESCC(C)(C)OC[C@H](O)CN1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C17H27NO2/c1-17(2,3)20-13-16(19)12-18-10-9-15(11-18)14-7-5-4-6-8-14/h4-8,15-16,19H,9-13H2,1-3H3/t15-,16+/m0/s1
InChIKeyLFDIQXNWYYONHD-JKSUJKDBSA-N
XLogP2.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 40786891
(2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 100856123
(2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 95336881
4-[(2R)-2-hydroxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propoxy]benzonitrile
CID 100851303
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111442666
1-(3-methyl-4-phenylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 111462788
(2R)-1-[12-[(2S)-2-hydroxy-3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 124770147
1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol
CID 115475222
1-(4-benzylidenepiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111799527
1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol
CID 3030548
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111116658
(2R)-1-ethoxy-3-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]propan-2-ol
CID 100705663

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol (CID 94824860) is (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol is CC(C)(C)OC[C@H](O)CN1CC[C@H](c2ccccc2)C1.
What is the InChIKey of (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol?
The InChIKey is LFDIQXNWYYONHD-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2,3)20-13-16(19)12-18-10-9-15(11-18)14-7-5-4-6-8-14/h4-8,15-16,19H,9-13H2,1-3H3/t15-,16+/m0/s1.
What are the key properties of (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol?
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 94824860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).