2-amino-2-methyl-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one;dihydrochloride

C16H27Cl2N3O — CID 119900172

IUPAC2-amino-2-methyl-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one;dihydrochloride
SMILESCN(c1ccccc1)C1CCN(C(=O)C(C)(C)N)CC1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-16(2,17)15(20)19-11-9-14(10-12-19)18(3)13-7-5-4-6-8-13;;/h4-8,14H,9-12,17H2,1-3H3;2*1H
InChIKeyCSJRKYVEPYHOAW-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.69
Rot. Bonds3

About 2-amino-2-methyl-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one;dihydrochloride

2-amino-2-methyl-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119900172) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one;dihydrochloride
PubChem CID119900172
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name2-amino-2-methyl-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one;dihydrochloride
SMILESCN(c1ccccc1)C1CCN(C(=O)C(C)(C)N)CC1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-16(2,17)15(20)19-11-9-14(10-12-19)18(3)13-7-5-4-6-8-13;;/h4-8,14H,9-12,17H2,1-3H3;2*1H
InChIKeyCSJRKYVEPYHOAW-UHFFFAOYSA-N
XLogP2.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-1-[4-(N-methylanilino)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119900202
N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 120590583
2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 119900175
2-amino-1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 67442232
2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 61264863
2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one
CID 110460861
2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one
CID 60866270
4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid
CID 146380644
1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 136579513
4-(N-methylanilino)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-carboxamide
CID 71977269
2-amino-1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080376
1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 119517891

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of 2-amino-2-methyl-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one;dihydrochloride (CID 119900172) is 2-amino-2-methyl-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for 2-amino-2-methyl-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for 2-amino-2-methyl-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one;dihydrochloride is CN(c1ccccc1)C1CCN(C(=O)C(C)(C)N)CC1.Cl.Cl.
What is the InChIKey of 2-amino-2-methyl-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is CSJRKYVEPYHOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-16(2,17)15(20)19-11-9-14(10-12-19)18(3)13-7-5-4-6-8-13;;/h4-8,14H,9-12,17H2,1-3H3;2*1H.
What are the key properties of 2-amino-2-methyl-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one;dihydrochloride?
2-amino-2-methyl-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119900172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).