2-(3,3-dimethylpiperidin-1-yl)-6-methoxyaniline

C14H22N2O — CID 113392692

IUPAC2-(3,3-dimethylpiperidin-1-yl)-6-methoxyaniline
SMILESCOc1cccc(N2CCCC(C)(C)C2)c1N
InChIInChI=1S/C14H22N2O/c1-14(2)8-5-9-16(10-14)11-6-4-7-12(17-3)13(11)15/h4,6-7H,5,8-10,15H2,1-3H3
InChIKeyZTZTXHSWKSOILE-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.90
Rot. Bonds2

About 2-(3,3-dimethylpiperidin-1-yl)-6-methoxyaniline

2-(3,3-dimethylpiperidin-1-yl)-6-methoxyaniline (PubChem CID 113392692) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3,3-dimethylpiperidin-1-yl)-6-methoxyaniline.

Molecular Properties

Compound Name2-(3,3-dimethylpiperidin-1-yl)-6-methoxyaniline
PubChem CID113392692
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(3,3-dimethylpiperidin-1-yl)-6-methoxyaniline
SMILESCOc1cccc(N2CCCC(C)(C)C2)c1N
InChIInChI=1S/C14H22N2O/c1-14(2)8-5-9-16(10-14)11-6-4-7-12(17-3)13(11)15/h4,6-7H,5,8-10,15H2,1-3H3
InChIKeyZTZTXHSWKSOILE-UHFFFAOYSA-N
XLogP2.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.90
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-amino-3-(3,3-dimethylpiperidin-1-yl)benzoic acid
CID 115546247
1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol
CID 113392759
2-amino-3-(3,3-dimethylpiperidin-1-yl)benzenesulfonamide
CID 112674926
1-[4-(2-amino-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 113392458
2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)aniline
CID 104834721
2-amino-3-(3,3-dimethylpyrrolidin-1-yl)benzonitrile
CID 104716925
2-bromo-6-(3,3-dimethylpiperidin-1-yl)benzoic acid
CID 114888260
2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzonitrile
CID 78957669
(1R)-1-[2-(3,3-dimethylpiperidin-1-yl)phenyl]propan-1-amine
CID 113358840
1-[2-[(1S)-1-hydroxyethyl]-3-methoxyphenyl]-4-methylazepan-4-ol
CID 107405213
2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide
CID 79520152
(4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 104782959

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpiperidin-1-yl)-6-methoxyaniline?
The IUPAC name of 2-(3,3-dimethylpiperidin-1-yl)-6-methoxyaniline (CID 113392692) is 2-(3,3-dimethylpiperidin-1-yl)-6-methoxyaniline.
What is the SMILES notation for 2-(3,3-dimethylpiperidin-1-yl)-6-methoxyaniline?
The canonical SMILES for 2-(3,3-dimethylpiperidin-1-yl)-6-methoxyaniline is COc1cccc(N2CCCC(C)(C)C2)c1N.
What is the InChIKey of 2-(3,3-dimethylpiperidin-1-yl)-6-methoxyaniline?
The InChIKey is ZTZTXHSWKSOILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2)8-5-9-16(10-14)11-6-4-7-12(17-3)13(11)15/h4,6-7H,5,8-10,15H2,1-3H3.
What are the key properties of 2-(3,3-dimethylpiperidin-1-yl)-6-methoxyaniline?
2-(3,3-dimethylpiperidin-1-yl)-6-methoxyaniline has a molecular weight of 234.34 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpiperidin-1-yl)-6-methoxyaniline is sourced from PubChem (CID 113392692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).