2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone

C14H20N2O2 — CID 28689718

IUPAC2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
SMILESC[C@H]1CCCN(C(=O)COc2ccc(N)cc2)C1
InChIInChI=1S/C14H20N2O2/c1-11-3-2-8-16(9-11)14(17)10-18-13-6-4-12(15)5-7-13/h4-7,11H,2-3,8-10,15H2,1H3/t11-/m0/s1
InChIKeyQXWZVZRAOHETDD-NSHDSACASA-N
MW248.33 g/mol
LogP1.91
Rot. Bonds3

About 2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone

2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone (PubChem CID 28689718) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
PubChem CID28689718
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
SMILESC[C@H]1CCCN(C(=O)COc2ccc(N)cc2)C1
InChIInChI=1S/C14H20N2O2/c1-11-3-2-8-16(9-11)14(17)10-18-13-6-4-12(15)5-7-13/h4-7,11H,2-3,8-10,15H2,1H3/t11-/m0/s1
InChIKeyQXWZVZRAOHETDD-NSHDSACASA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
methyl 4-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 60624261
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 5017264
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678453
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(4-aminophenoxy)ethanone
CID 61102892
2-(4-aminophenoxy)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530023
2-[3-amino-4-(trifluoromethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone
CID 171392213
2-(4-chloro-3-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
CID 112978910
2-[4-(aminomethyl)phenoxy]-1-(4-methylazepan-1-yl)ethanone
CID 63622570
2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 63168515
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925634

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone (CID 28689718) is 2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone is C[C@H]1CCCN(C(=O)COc2ccc(N)cc2)C1.
What is the InChIKey of 2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The InChIKey is QXWZVZRAOHETDD-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-3-2-8-16(9-11)14(17)10-18-13-6-4-12(15)5-7-13/h4-7,11H,2-3,8-10,15H2,1H3/t11-/m0/s1.
What are the key properties of 2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 28689718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).