2-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone

C15H22N2O2 — CID 63972458

IUPAC2-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
SMILESCOCC1CCN(C(=O)Cc2cccc(N)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-19-11-12-5-7-17(8-6-12)15(18)10-13-3-2-4-14(16)9-13/h2-4,9,12H,5-8,10-11,16H2,1H3
InChIKeyPPISCKXALUGSKV-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.70
Rot. Bonds4

About 2-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone

2-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone (PubChem CID 63972458) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
PubChem CID63972458
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
SMILESCOCC1CCN(C(=O)Cc2cccc(N)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-19-11-12-5-7-17(8-6-12)15(18)10-13-3-2-4-14(16)9-13/h2-4,9,12H,5-8,10-11,16H2,1H3
InChIKeyPPISCKXALUGSKV-UHFFFAOYSA-N
XLogP1.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.70
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-(3-aminophenyl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 62499161
1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide
CID 28711990
2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone
CID 62499348
2-(4-aminophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64568201
2-(3-aminophenyl)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 28689676
2-(3-aminophenyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62499024
2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973808
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
2-(4-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63971281
2-(3-aminophenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 62499989
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
2-[(3S)-1-[2-(3-aminophenyl)acetyl]piperidin-3-yl]acetic acid
CID 124512791

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone (CID 63972458) is 2-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone is COCC1CCN(C(=O)Cc2cccc(N)c2)CC1.
What is the InChIKey of 2-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is PPISCKXALUGSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-11-12-5-7-17(8-6-12)15(18)10-13-3-2-4-14(16)9-13/h2-4,9,12H,5-8,10-11,16H2,1H3.
What are the key properties of 2-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone?
2-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 63972458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).