1-(oxazinan-2-yl)-4-phenylbutan-1-one

C14H19NO2 — CID 113375900

IUPAC1-(oxazinan-2-yl)-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCCCO1
InChIInChI=1S/C14H19NO2/c16-14(15-11-4-5-12-17-15)10-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2
InChIKeyXZNJBRKZGLECPC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.56
Rot. Bonds4

About 1-(oxazinan-2-yl)-4-phenylbutan-1-one

1-(oxazinan-2-yl)-4-phenylbutan-1-one (PubChem CID 113375900) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(oxazinan-2-yl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(oxazinan-2-yl)-4-phenylbutan-1-one
PubChem CID113375900
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(oxazinan-2-yl)-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCCCO1
InChIInChI=1S/C14H19NO2/c16-14(15-11-4-5-12-17-15)10-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2
InChIKeyXZNJBRKZGLECPC-UHFFFAOYSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(oxazinan-2-yl)-4-phenylbutan-1-one
CID 104984760
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
CID 15080754
5-phenylpentan-2-one
CID 16701
4-phenyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 3081017
4-phenyl-1-[2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 15080758
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
3-(oxazinan-2-yl)-1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 25489229
3-(oxazinan-2-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 25489234
1-[4-(cyclopent-3-ene-1-carbonyl)-1,4-diazepan-1-yl]-4-phenylbutan-1-one
CID 137336213
1,3-oxazolidin-3-yl 4-phenylbutanoate
CID 69093922
5-phenyl-1-(2-sulfanylideneazepan-1-yl)pentan-1-one
CID 102154946

Frequently Asked Questions

What is the IUPAC name of 1-(oxazinan-2-yl)-4-phenylbutan-1-one?
The IUPAC name of 1-(oxazinan-2-yl)-4-phenylbutan-1-one (CID 113375900) is 1-(oxazinan-2-yl)-4-phenylbutan-1-one.
What is the SMILES notation for 1-(oxazinan-2-yl)-4-phenylbutan-1-one?
The canonical SMILES for 1-(oxazinan-2-yl)-4-phenylbutan-1-one is O=C(CCCc1ccccc1)N1CCCCO1.
What is the InChIKey of 1-(oxazinan-2-yl)-4-phenylbutan-1-one?
The InChIKey is XZNJBRKZGLECPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14(15-11-4-5-12-17-15)10-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2.
What are the key properties of 1-(oxazinan-2-yl)-4-phenylbutan-1-one?
1-(oxazinan-2-yl)-4-phenylbutan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxazinan-2-yl)-4-phenylbutan-1-one is sourced from PubChem (CID 113375900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).