1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine

C15H25N3O — CID 115413812

IUPAC1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine
SMILESCOc1ccc(CN2CCC(N(C)C)CC2)c(N)c1
InChIInChI=1S/C15H25N3O/c1-17(2)13-6-8-18(9-7-13)11-12-4-5-14(19-3)10-15(12)16/h4-5,10,13H,6-9,11,16H2,1-3H3
InChIKeyYTMZIZOOAGZBKW-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.80
Rot. Bonds4

About 1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine

1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 115413812) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine
PubChem CID115413812
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine
SMILESCOc1ccc(CN2CCC(N(C)C)CC2)c(N)c1
InChIInChI=1S/C15H25N3O/c1-17(2)13-6-8-18(9-7-13)11-12-4-5-14(19-3)10-15(12)16/h4-5,10,13H,6-9,11,16H2,1-3H3
InChIKeyYTMZIZOOAGZBKW-UHFFFAOYSA-N
XLogP1.80
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]aniline
CID 59353063
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline
CID 115414065
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxyaniline
CID 115413949
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline
CID 115414082
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-5-methoxyaniline
CID 115414106
2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
1-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N,N-dimethylpiperidin-4-amine
CID 43585758
2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline
CID 115413849
5-methoxy-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]aniline
CID 115414146
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-methoxyaniline
CID 82750106
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 106785254
1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol
CID 2845869

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine (CID 115413812) is 1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine is COc1ccc(CN2CCC(N(C)C)CC2)c(N)c1.
What is the InChIKey of 1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is YTMZIZOOAGZBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17(2)13-6-8-18(9-7-13)11-12-4-5-14(19-3)10-15(12)16/h4-5,10,13H,6-9,11,16H2,1-3H3.
What are the key properties of 1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine?
1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 115413812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).