(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone

C15H22N2O2 — CID 104782396

IUPAC(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C15H22N2O2/c1-3-12-6-4-5-9-17(12)15(18)11-7-8-13(16)14(10-11)19-2/h7-8,10,12H,3-6,9,16H2,1-2H3
InChIKeyFGCFLOYQGJRMQO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.68
Rot. Bonds3

About (4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone

(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 104782396) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID104782396
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C15H22N2O2/c1-3-12-6-4-5-9-17(12)15(18)11-7-8-13(16)14(10-11)19-2/h7-8,10,12H,3-6,9,16H2,1-2H3
InChIKeyFGCFLOYQGJRMQO-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
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

(4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 104782453
(4-amino-3-methoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210005
(2-ethylpiperidin-1-yl)-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 112760228
(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052501
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 104782923
(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 683288
2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 55544127
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 61094073
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428
(4-amino-3-nitrophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 62153181
[2-(2-chloroethyl)piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63393532

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone (CID 104782396) is (4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1ccc(N)c(OC)c1.
What is the InChIKey of (4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is FGCFLOYQGJRMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-12-6-4-5-9-17(12)15(18)11-7-8-13(16)14(10-11)19-2/h7-8,10,12H,3-6,9,16H2,1-2H3.
What are the key properties of (4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone?
(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 104782396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).