3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-phenylpropan-1-one;dihydrochloride

C16H27Cl2N3O — CID 119874478

IUPAC3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-phenylpropan-1-one;dihydrochloride
SMILESCN(C)C1CCCN(C(=O)C(CN)c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-18(2)14-9-6-10-19(12-14)16(20)15(11-17)13-7-4-3-5-8-13;;/h3-5,7-8,14-15H,6,9-12,17H2,1-2H3;2*1H
InChIKeyIPGLDVXFZKQABS-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.13
Rot. Bonds4

About 3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-phenylpropan-1-one;dihydrochloride

3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-phenylpropan-1-one;dihydrochloride (PubChem CID 119874478) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-phenylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-phenylpropan-1-one;dihydrochloride
PubChem CID119874478
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-phenylpropan-1-one;dihydrochloride
SMILESCN(C)C1CCCN(C(=O)C(CN)c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-18(2)14-9-6-10-19(12-14)16(20)15(11-17)13-7-4-3-5-8-13;;/h3-5,7-8,14-15H,6,9-12,17H2,1-2H3;2*1H
InChIKeyIPGLDVXFZKQABS-UHFFFAOYSA-N
XLogP2.13
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 62877152
3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-methoxypropan-1-one
CID 106113073
3-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 114797349
2-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106151707
3-amino-1-(2-methylmorpholin-4-yl)-2-phenylpropan-1-one
CID 62877976
3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one
CID 62937432
1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 119595885
(2S)-2-amino-1-[3-(dimethylamino)piperidin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119874499
3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119707250
1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 78946629
2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119727574
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide;hydrochloride
CID 119770662

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-phenylpropan-1-one;dihydrochloride?
The IUPAC name of 3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-phenylpropan-1-one;dihydrochloride (CID 119874478) is 3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-phenylpropan-1-one;dihydrochloride.
What is the SMILES notation for 3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-phenylpropan-1-one;dihydrochloride?
The canonical SMILES for 3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-phenylpropan-1-one;dihydrochloride is CN(C)C1CCCN(C(=O)C(CN)c2ccccc2)C1.Cl.Cl.
What is the InChIKey of 3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-phenylpropan-1-one;dihydrochloride?
The InChIKey is IPGLDVXFZKQABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-18(2)14-9-6-10-19(12-14)16(20)15(11-17)13-7-4-3-5-8-13;;/h3-5,7-8,14-15H,6,9-12,17H2,1-2H3;2*1H.
What are the key properties of 3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-phenylpropan-1-one;dihydrochloride?
3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-phenylpropan-1-one;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-phenylpropan-1-one;dihydrochloride is sourced from PubChem (CID 119874478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).