5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one

C13H18N2O3 — CID 115060512

IUPAC5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one
SMILESNCCCC1COCC(=O)N1c1ccc(O)cc1
InChIInChI=1S/C13H18N2O3/c14-7-1-2-11-8-18-9-13(17)15(11)10-3-5-12(16)6-4-10/h3-6,11,16H,1-2,7-9,14H2
InChIKeyNBLODTZWJVHTNV-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.86
Rot. Bonds4

About 5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one

5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one (PubChem CID 115060512) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one
PubChem CID115060512
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one
SMILESNCCCC1COCC(=O)N1c1ccc(O)cc1
InChIInChI=1S/C13H18N2O3/c14-7-1-2-11-8-18-9-13(17)15(11)10-3-5-12(16)6-4-10/h3-6,11,16H,1-2,7-9,14H2
InChIKeyNBLODTZWJVHTNV-UHFFFAOYSA-N
XLogP0.86
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-aminopropyl)-4-(2-chlorophenyl)morpholin-3-one
CID 115060484
5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one
CID 115060503
5-(3-aminopropyl)-4-benzylmorpholin-3-one
CID 115060565
4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one
CID 117009566
5-(3-aminopropyl)-4-cyclopentylmorpholin-3-one
CID 115060442
5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one
CID 115060596
1-cyclobutylpiperidine;5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(4-hydroxyphenyl)morpholin-3-one;ethane
CID 145497281
5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one
CID 115060562
3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid
CID 115060501
4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one
CID 117009573
4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one
CID 117009643
4-(5-chloro-2-methylphenyl)-5-(2-hydroxyethyl)morpholin-3-one
CID 117009647

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one?
The IUPAC name of 5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one (CID 115060512) is 5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one.
What is the SMILES notation for 5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one?
The canonical SMILES for 5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one is NCCCC1COCC(=O)N1c1ccc(O)cc1.
What is the InChIKey of 5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one?
The InChIKey is NBLODTZWJVHTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-7-1-2-11-8-18-9-13(17)15(11)10-3-5-12(16)6-4-10/h3-6,11,16H,1-2,7-9,14H2.
What are the key properties of 5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one?
5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one has a molecular weight of 250.30 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one is sourced from PubChem (CID 115060512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).