1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol

C17H29NO3 — CID 567884

IUPAC1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol
SMILESOC(COC1C2CC3CC(C2)CC1C3)CN1CCOCC1
InChIInChI=1S/C17H29NO3/c19-16(10-18-1-3-20-4-2-18)11-21-17-14-6-12-5-13(8-14)9-15(17)7-12/h12-17,19H,1-11H2
InChIKeyGWNPRPOEZOJFHO-UHFFFAOYSA-N
MW295.42 g/mol
LogP1.52
Rot. Bonds5

About 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol

1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol (PubChem CID 567884) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol
PubChem CID567884
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol
SMILESOC(COC1C2CC3CC(C2)CC1C3)CN1CCOCC1
InChIInChI=1S/C17H29NO3/c19-16(10-18-1-3-20-4-2-18)11-21-17-14-6-12-5-13(8-14)9-15(17)7-12/h12-17,19H,1-11H2
InChIKeyGWNPRPOEZOJFHO-UHFFFAOYSA-N
XLogP1.52
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol (CID 567884) is 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol is OC(COC1C2CC3CC(C2)CC1C3)CN1CCOCC1.
What is the InChIKey of 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is GWNPRPOEZOJFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c19-16(10-18-1-3-20-4-2-18)11-21-17-14-6-12-5-13(8-14)9-15(17)7-12/h12-17,19H,1-11H2.
What are the key properties of 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol?
1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol has a molecular weight of 295.42 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 567884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).