(2S)-2-(3-aminophenoxy)-1-piperidin-1-ylpropan-1-one

C14H20N2O2 — CID 28908472

IUPAC(2S)-2-(3-aminophenoxy)-1-piperidin-1-ylpropan-1-one
SMILESC[C@H](Oc1cccc(N)c1)C(=O)N1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-11(14(17)16-8-3-2-4-9-16)18-13-7-5-6-12(15)10-13/h5-7,10-11H,2-4,8-9,15H2,1H3/t11-/m0/s1
InChIKeyUHBCDGWIZTWTTE-NSHDSACASA-N
MW248.33 g/mol
LogP2.05
Rot. Bonds3

About (2S)-2-(3-aminophenoxy)-1-piperidin-1-ylpropan-1-one

(2S)-2-(3-aminophenoxy)-1-piperidin-1-ylpropan-1-one (PubChem CID 28908472) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-2-(3-aminophenoxy)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-(3-aminophenoxy)-1-piperidin-1-ylpropan-1-one
PubChem CID28908472
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S)-2-(3-aminophenoxy)-1-piperidin-1-ylpropan-1-one
SMILESC[C@H](Oc1cccc(N)c1)C(=O)N1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-11(14(17)16-8-3-2-4-9-16)18-13-7-5-6-12(15)10-13/h5-7,10-11H,2-4,8-9,15H2,1H3/t11-/m0/s1
InChIKeyUHBCDGWIZTWTTE-NSHDSACASA-N
XLogP2.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-aminophenoxy)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-(3-aminophenoxy)-1-piperidin-1-ylpropan-1-one (CID 28908472) is (2S)-2-(3-aminophenoxy)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-(3-aminophenoxy)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-(3-aminophenoxy)-1-piperidin-1-ylpropan-1-one is C[C@H](Oc1cccc(N)c1)C(=O)N1CCCCC1.
What is the InChIKey of (2S)-2-(3-aminophenoxy)-1-piperidin-1-ylpropan-1-one?
The InChIKey is UHBCDGWIZTWTTE-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(14(17)16-8-3-2-4-9-16)18-13-7-5-6-12(15)10-13/h5-7,10-11H,2-4,8-9,15H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-(3-aminophenoxy)-1-piperidin-1-ylpropan-1-one?
(2S)-2-(3-aminophenoxy)-1-piperidin-1-ylpropan-1-one has a molecular weight of 248.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-aminophenoxy)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 28908472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).