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

C17H29ClNO3- — CID 21236682

IUPAC1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol chloride
SMILESOC(COC1C2CC3CC(C2)CC1C3)CN1CCOCC1.[Cl-]
InChIInChI=1S/C17H29NO3.ClH/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;1H/p-1
InChIKeyZKVIGAVXFFTJOV-UHFFFAOYSA-M
MW330.88 g/mol
LogP-1.48
Rot. Bonds5

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

1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol chloride (PubChem CID 21236682) has the molecular formula C17H29ClNO3- and a molecular weight of 330.88 g/mol. Its IUPAC name is 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol chloride.

Molecular Properties

Compound Name1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol chloride
PubChem CID21236682
Molecular FormulaC17H29ClNO3-
Molecular Weight330.88 g/mol
Exact Mass330.18
IUPAC Name1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol chloride
SMILESOC(COC1C2CC3CC(C2)CC1C3)CN1CCOCC1.[Cl-]
InChIInChI=1S/C17H29NO3.ClH/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;1H/p-1
InChIKeyZKVIGAVXFFTJOV-UHFFFAOYSA-M
XLogP-1.48
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 5-1.48
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 chloride?
The IUPAC name of 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol chloride (CID 21236682) is 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol chloride.
What is the SMILES notation for 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol chloride?
The canonical SMILES for 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol chloride is OC(COC1C2CC3CC(C2)CC1C3)CN1CCOCC1.[Cl-].
What is the InChIKey of 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol chloride?
The InChIKey is ZKVIGAVXFFTJOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H29NO3.ClH/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;1H/p-1.
What are the key properties of 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol chloride?
1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol chloride has a molecular weight of 330.88 g/mol, XLogP of -1.48, 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 chloride is sourced from PubChem (CID 21236682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).