1-(2,6-dimethylmorpholin-4-yl)-13-hydroxytridecan-1-one

C19H37NO3 — CID 14819914

IUPAC1-(2,6-dimethylmorpholin-4-yl)-13-hydroxytridecan-1-one
SMILESCC1CN(C(=O)CCCCCCCCCCCCO)CC(C)O1
InChIInChI=1S/C19H37NO3/c1-17-15-20(16-18(2)23-17)19(22)13-11-9-7-5-3-4-6-8-10-12-14-21/h17-18,21H,3-16H2,1-2H3
InChIKeyWHZRWOPEAXQUIU-UHFFFAOYSA-N
MW327.51 g/mol
LogP3.91
Rot. Bonds12

About 1-(2,6-dimethylmorpholin-4-yl)-13-hydroxytridecan-1-one

1-(2,6-dimethylmorpholin-4-yl)-13-hydroxytridecan-1-one (PubChem CID 14819914) has the molecular formula C19H37NO3 and a molecular weight of 327.51 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-13-hydroxytridecan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-13-hydroxytridecan-1-one
PubChem CID14819914
Molecular FormulaC19H37NO3
Molecular Weight327.51 g/mol
Exact Mass327.28
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-13-hydroxytridecan-1-one
SMILESCC1CN(C(=O)CCCCCCCCCCCCO)CC(C)O1
InChIInChI=1S/C19H37NO3/c1-17-15-20(16-18(2)23-17)19(22)13-11-9-7-5-3-4-6-8-10-12-14-21/h17-18,21H,3-16H2,1-2H3
InChIKeyWHZRWOPEAXQUIU-UHFFFAOYSA-N
XLogP3.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-13-hydroxytridecan-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-13-hydroxytridecan-1-one (CID 14819914) is 1-(2,6-dimethylmorpholin-4-yl)-13-hydroxytridecan-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-13-hydroxytridecan-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-13-hydroxytridecan-1-one is CC1CN(C(=O)CCCCCCCCCCCCO)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-13-hydroxytridecan-1-one?
The InChIKey is WHZRWOPEAXQUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO3/c1-17-15-20(16-18(2)23-17)19(22)13-11-9-7-5-3-4-6-8-10-12-14-21/h17-18,21H,3-16H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-13-hydroxytridecan-1-one?
1-(2,6-dimethylmorpholin-4-yl)-13-hydroxytridecan-1-one has a molecular weight of 327.51 g/mol, XLogP of 3.91, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-13-hydroxytridecan-1-one is sourced from PubChem (CID 14819914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).