(5-amino-2,4-dimethylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone

C16H25N3O — CID 102705708

IUPAC(5-amino-2,4-dimethylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCc1cc(C)c(C(=O)N2CCCC(N(C)C)C2)cc1N
InChIInChI=1S/C16H25N3O/c1-11-8-12(2)15(17)9-14(11)16(20)19-7-5-6-13(10-19)18(3)4/h8-9,13H,5-7,10,17H2,1-4H3
InChIKeyVBAUEXUNJYQKAI-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.05
Rot. Bonds2

About (5-amino-2,4-dimethylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone

(5-amino-2,4-dimethylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 102705708) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (5-amino-2,4-dimethylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2,4-dimethylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
PubChem CID102705708
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(5-amino-2,4-dimethylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCc1cc(C)c(C(=O)N2CCCC(N(C)C)C2)cc1N
InChIInChI=1S/C16H25N3O/c1-11-8-12(2)15(17)9-14(11)16(20)19-7-5-6-13(10-19)18(3)4/h8-9,13H,5-7,10,17H2,1-4H3
InChIKeyVBAUEXUNJYQKAI-UHFFFAOYSA-N
XLogP2.05
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.05
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

(5-amino-2,4-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 102705090
[3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 103863767
(5-amino-2,4-dimethylphenyl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 102705543
(3-amino-2-chlorophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 112576020
[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 63091098
(4-bromo-2-methylphenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 69150661
(4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63616283
(2-bromo-5-iodophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 103997408
(2-bromo-5-sulfanylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 107031635
(5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090575
[(3S)-3-(dimethylamino)azepan-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 70705758
[3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79523643

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-dimethylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of (5-amino-2,4-dimethylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone (CID 102705708) is (5-amino-2,4-dimethylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2,4-dimethylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-2,4-dimethylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone is Cc1cc(C)c(C(=O)N2CCCC(N(C)C)C2)cc1N.
What is the InChIKey of (5-amino-2,4-dimethylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is VBAUEXUNJYQKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-8-12(2)15(17)9-14(11)16(20)19-7-5-6-13(10-19)18(3)4/h8-9,13H,5-7,10,17H2,1-4H3.
What are the key properties of (5-amino-2,4-dimethylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
(5-amino-2,4-dimethylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 275.40 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-dimethylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 102705708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).