2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride

C14H23Cl2N3O — CID 119892722

IUPAC2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
SMILESCc1cccc(NC2CCN(C(=O)CN)CC2)c1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-11-3-2-4-13(9-11)16-12-5-7-17(8-6-12)14(18)10-15;;/h2-4,9,12,16H,5-8,10,15H2,1H3;2*1H
InChIKeyNUPFODJFZOMPOW-UHFFFAOYSA-N
MW320.26 g/mol
LogP2.20
Rot. Bonds3

About 2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride

2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride (PubChem CID 119892722) has the molecular formula C14H23Cl2N3O and a molecular weight of 320.26 g/mol. Its IUPAC name is 2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
PubChem CID119892722
Molecular FormulaC14H23Cl2N3O
Molecular Weight320.26 g/mol
Exact Mass319.12
IUPAC Name2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
SMILESCc1cccc(NC2CCN(C(=O)CN)CC2)c1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-11-3-2-4-13(9-11)16-12-5-7-17(8-6-12)14(18)10-15;;/h2-4,9,12,16H,5-8,10,15H2,1H3;2*1H
InChIKeyNUPFODJFZOMPOW-UHFFFAOYSA-N
XLogP2.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325
2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
CID 119892742
(2S)-2-amino-3,3-dimethyl-1-[4-(3-methylanilino)piperidin-1-yl]butan-1-one
CID 119892713
1-[4-(3-methylanilino)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119892708
2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone
CID 67480098
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone
CID 120647291
(2S)-2-[4-(3-methylanilino)piperidin-1-yl]butanoic acid
CID 129401602
ethyl 4-(3-bromoanilino)piperidine-1-carboxylate
CID 43762800
4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol
CID 111457378
[4-(methoxymethyl)piperidin-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone;dihydrochloride
CID 120647292
[4-(3-methylanilino)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120942286

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride (CID 119892722) is 2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride is Cc1cccc(NC2CCN(C(=O)CN)CC2)c1.Cl.Cl.
What is the InChIKey of 2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride?
The InChIKey is NUPFODJFZOMPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.2ClH/c1-11-3-2-4-13(9-11)16-12-5-7-17(8-6-12)14(18)10-15;;/h2-4,9,12,16H,5-8,10,15H2,1H3;2*1H.
What are the key properties of 2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride?
2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride has a molecular weight of 320.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119892722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).