2-(4-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone

C15H22N2O2 — CID 55040561

IUPAC2-(4-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)COc2ccc(N)cc2)C1C
InChIInChI=1S/C15H22N2O2/c1-11-4-3-9-17(12(11)2)15(18)10-19-14-7-5-13(16)6-8-14/h5-8,11-12H,3-4,9-10,16H2,1-2H3
InChIKeyVKMVXNMMFPFCQT-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.29
Rot. Bonds3

About 2-(4-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone

2-(4-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone (PubChem CID 55040561) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone
PubChem CID55040561
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(4-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)COc2ccc(N)cc2)C1C
InChIInChI=1S/C15H22N2O2/c1-11-4-3-9-17(12(11)2)15(18)10-19-14-7-5-13(16)6-8-14/h5-8,11-12H,3-4,9-10,16H2,1-2H3
InChIKeyVKMVXNMMFPFCQT-UHFFFAOYSA-N
XLogP2.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.29
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-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62123166
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-aminophenoxy)ethanone
CID 61028305
2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 28689718
1-[2-(4-aminophenoxy)acetyl]-N-methylpiperidine-2-carboxamide
CID 61106759
(2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122115605
2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 102882184
4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]aniline
CID 55040511
2-(4-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63971281
(2R,3R)-2-methyl-1-[2-(4-nitrophenoxy)acetyl]piperidine-3-carboxylic acid
CID 122114872
2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 4541588
2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone
CID 62090187
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 119631366

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone (CID 55040561) is 2-(4-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)COc2ccc(N)cc2)C1C.
What is the InChIKey of 2-(4-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone?
The InChIKey is VKMVXNMMFPFCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-4-3-9-17(12(11)2)15(18)10-19-14-7-5-13(16)6-8-14/h5-8,11-12H,3-4,9-10,16H2,1-2H3.
What are the key properties of 2-(4-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone?
2-(4-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 2.29, 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-(2,3-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 55040561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).