(2S)-1-morpholin-4-yl-2-naphthalen-2-ylpropan-2-ol

C17H21NO2 — CID 102520288

IUPAC(2S)-1-morpholin-4-yl-2-naphthalen-2-ylpropan-2-ol
SMILESC[C@@](O)(CN1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO2/c1-17(19,13-18-8-10-20-11-9-18)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,19H,8-11,13H2,1H3/t17-/m1/s1
InChIKeyUQXZGFMWYOUSSX-QGZVFWFLSA-N
MW271.36 g/mol
LogP2.38
Rot. Bonds3

About (2S)-1-morpholin-4-yl-2-naphthalen-2-ylpropan-2-ol

(2S)-1-morpholin-4-yl-2-naphthalen-2-ylpropan-2-ol (PubChem CID 102520288) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-2-naphthalen-2-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-2-naphthalen-2-ylpropan-2-ol
PubChem CID102520288
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(2S)-1-morpholin-4-yl-2-naphthalen-2-ylpropan-2-ol
SMILESC[C@@](O)(CN1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO2/c1-17(19,13-18-8-10-20-11-9-18)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,19H,8-11,13H2,1H3/t17-/m1/s1
InChIKeyUQXZGFMWYOUSSX-QGZVFWFLSA-N
XLogP2.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-2-naphthalen-2-ylpropan-2-ol?
The IUPAC name of (2S)-1-morpholin-4-yl-2-naphthalen-2-ylpropan-2-ol (CID 102520288) is (2S)-1-morpholin-4-yl-2-naphthalen-2-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-morpholin-4-yl-2-naphthalen-2-ylpropan-2-ol?
The canonical SMILES for (2S)-1-morpholin-4-yl-2-naphthalen-2-ylpropan-2-ol is C[C@@](O)(CN1CCOCC1)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-1-morpholin-4-yl-2-naphthalen-2-ylpropan-2-ol?
The InChIKey is UQXZGFMWYOUSSX-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(19,13-18-8-10-20-11-9-18)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,19H,8-11,13H2,1H3/t17-/m1/s1.
What are the key properties of (2S)-1-morpholin-4-yl-2-naphthalen-2-ylpropan-2-ol?
(2S)-1-morpholin-4-yl-2-naphthalen-2-ylpropan-2-ol has a molecular weight of 271.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-2-naphthalen-2-ylpropan-2-ol is sourced from PubChem (CID 102520288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).