2-(4-aminophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone

C15H22N2O2 — CID 102954923

IUPAC2-(4-aminophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
SMILESCOC1CN(C(=O)Cc2ccc(N)cc2)CCC1C
InChIInChI=1S/C15H22N2O2/c1-11-7-8-17(10-14(11)19-2)15(18)9-12-3-5-13(16)6-4-12/h3-6,11,14H,7-10,16H2,1-2H3
InChIKeyBBWVQHHKVBJWAQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.69
Rot. Bonds3

About 2-(4-aminophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone

2-(4-aminophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone (PubChem CID 102954923) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
PubChem CID102954923
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(4-aminophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
SMILESCOC1CN(C(=O)Cc2ccc(N)cc2)CCC1C
InChIInChI=1S/C15H22N2O2/c1-11-7-8-17(10-14(11)19-2)15(18)9-12-3-5-13(16)6-4-12/h3-6,11,14H,7-10,16H2,1-2H3
InChIKeyBBWVQHHKVBJWAQ-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
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-(4-aminophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
CID 103530140
2-(4-aminophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64568201
1-[2-(4-aminophenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63030537
2-(4-aminophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 79174351
2-(4-aminophenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 122080587
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(4-aminophenyl)ethanone
CID 43620094
2-(4-aminophenyl)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119789456
(5-amino-1-benzofuran-2-yl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954915
5-[2-(3-methoxy-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 102970887
N-[1-[2-(4-aminophenyl)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119793520
3-chloro-1-(3-methoxy-4-methylpiperidin-1-yl)propan-1-one
CID 102956855
2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
CID 63590667

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-aminophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone (CID 102954923) is 2-(4-aminophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone is COC1CN(C(=O)Cc2ccc(N)cc2)CCC1C.
What is the InChIKey of 2-(4-aminophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone?
The InChIKey is BBWVQHHKVBJWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-7-8-17(10-14(11)19-2)15(18)9-12-3-5-13(16)6-4-12/h3-6,11,14H,7-10,16H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone?
2-(4-aminophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 102954923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).