1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine

C15H25N3O — CID 107208478

IUPAC1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
SMILESCOc1cc(N)ccc1CN1CCCC(N(C)C)C1
InChIInChI=1S/C15H25N3O/c1-17(2)14-5-4-8-18(11-14)10-12-6-7-13(16)9-15(12)19-3/h6-7,9,14H,4-5,8,10-11,16H2,1-3H3
InChIKeyYFSMRAAXLHJHCG-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.80
Rot. Bonds4

About 1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine

1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 107208478) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
PubChem CID107208478
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
SMILESCOc1cc(N)ccc1CN1CCCC(N(C)C)C1
InChIInChI=1S/C15H25N3O/c1-17(2)14-5-4-8-18(11-14)10-12-6-7-13(16)9-15(12)19-3/h6-7,9,14H,4-5,8,10-11,16H2,1-3H3
InChIKeyYFSMRAAXLHJHCG-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

4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline
CID 107208239
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983581
1-[3-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 63899709
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-methoxyaniline
CID 107208396
3-methoxy-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]aniline
CID 107208482
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol
CID 82983035
3-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]aniline
CID 107208575
3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline
CID 107208226
(3S)-1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethylazepan-3-amine
CID 70779156
4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline
CID 43134589
(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 97314808
1-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 66769299

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine (CID 107208478) is 1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine is COc1cc(N)ccc1CN1CCCC(N(C)C)C1.
What is the InChIKey of 1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is YFSMRAAXLHJHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17(2)14-5-4-8-18(11-14)10-12-6-7-13(16)9-15(12)19-3/h6-7,9,14H,4-5,8,10-11,16H2,1-3H3.
What are the key properties of 1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine?
1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-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-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 107208478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).