(2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone

C16H24N2O2 — CID 81420836

IUPAC(2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCOc1cccc(N)c1C(=O)N1CCCCC1CC
InChIInChI=1S/C16H24N2O2/c1-3-12-8-5-6-11-18(12)16(19)15-13(17)9-7-10-14(15)20-4-2/h7,9-10,12H,3-6,8,11,17H2,1-2H3
InChIKeyVGZNYFQDASQGOX-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.07
Rot. Bonds4

About (2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone

(2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 81420836) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID81420836
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCOc1cccc(N)c1C(=O)N1CCCCC1CC
InChIInChI=1S/C16H24N2O2/c1-3-12-8-5-6-11-18(12)16(19)15-13(17)9-7-10-14(15)20-4-2/h7,9-10,12H,3-6,8,11,17H2,1-2H3
InChIKeyVGZNYFQDASQGOX-UHFFFAOYSA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 683288
1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide
CID 81393685
(2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83053615
(2-amino-6-methoxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 81420870
N-(2-ethoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 6468578
(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 104782396
N-(2-ethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056478
(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421165
(2-amino-6-ethoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954877
(2-amino-6-methoxyphenyl)-(3-ethylmorpholin-4-yl)methanone
CID 81420429
2-amino-N-cyclooctyl-6-ethoxybenzamide
CID 81396294
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 61094073

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone (CID 81420836) is (2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone is CCOc1cccc(N)c1C(=O)N1CCCCC1CC.
What is the InChIKey of (2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is VGZNYFQDASQGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-12-8-5-6-11-18(12)16(19)15-13(17)9-7-10-14(15)20-4-2/h7,9-10,12H,3-6,8,11,17H2,1-2H3.
What are the key properties of (2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone?
(2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 81420836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).