(5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone

C16H24N2O2 — CID 120633127

IUPAC(5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
SMILESCCOCC1CCCN(C(=O)c2cc(N)ccc2C)C1
InChIInChI=1S/C16H24N2O2/c1-3-20-11-13-5-4-8-18(10-13)16(19)15-9-14(17)7-6-12(15)2/h6-7,9,13H,3-5,8,10-11,17H2,1-2H3
InChIKeyZIDLRQNHMOXFNC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.47
Rot. Bonds4

About (5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone

(5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone (PubChem CID 120633127) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
PubChem CID120633127
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
SMILESCCOCC1CCCN(C(=O)c2cc(N)ccc2C)C1
InChIInChI=1S/C16H24N2O2/c1-3-20-11-13-5-4-8-18(10-13)16(19)15-9-14(17)7-6-12(15)2/h6-7,9,13H,3-5,8,10-11,17H2,1-2H3
InChIKeyZIDLRQNHMOXFNC-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
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

(5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113416759
(5-amino-2-methylphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120636524
(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110602773
(5-amino-2-methylphenyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 120647549
(5-amino-2-methylphenyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120632288
(5-amino-2-methylphenyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride
CID 120647548
(5-amino-1H-indol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585591
[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110418071
(5-amino-2-methylphenyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 120626598
2-(3,4-dimethylphenoxy)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 110617181
(5-amino-2-methylphenyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone;dihydrochloride
CID 120646446
1-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 120629969

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone (CID 120633127) is (5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone is CCOCC1CCCN(C(=O)c2cc(N)ccc2C)C1.
What is the InChIKey of (5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone?
The InChIKey is ZIDLRQNHMOXFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-20-11-13-5-4-8-18(10-13)16(19)15-9-14(17)7-6-12(15)2/h6-7,9,13H,3-5,8,10-11,17H2,1-2H3.
What are the key properties of (5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone?
(5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 120633127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).