2-(4-aminophenyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride

C15H23ClN2O — CID 119734675

IUPAC2-(4-aminophenyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
SMILESCC1(C)CCCN(C(=O)Cc2ccc(N)cc2)C1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-15(2)8-3-9-17(11-15)14(18)10-12-4-6-13(16)7-5-12;/h4-7H,3,8-11,16H2,1-2H3;1H
InChIKeyYCJJQCYZRKMLTJ-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.88
Rot. Bonds2

About 2-(4-aminophenyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride

2-(4-aminophenyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride (PubChem CID 119734675) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
PubChem CID119734675
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-(4-aminophenyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
SMILESCC1(C)CCCN(C(=O)Cc2ccc(N)cc2)C1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-15(2)8-3-9-17(11-15)14(18)10-12-4-6-13(16)7-5-12;/h4-7H,3,8-11,16H2,1-2H3;1H
InChIKeyYCJJQCYZRKMLTJ-UHFFFAOYSA-N
XLogP2.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-1-(3-methyl-3-propylpiperidin-1-yl)ethanone
CID 119791955
2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 62936167
2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 120623771
2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone
CID 119805305
2-(4-aminophenyl)-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone;hydrochloride
CID 119807902
2-(4-aminophenyl)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119811821
2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 16773079
1-[3-(4-aminophenyl)propanoyl]-3-methylpiperidine-3-carboxylic acid
CID 115341439
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-ethylphenyl)ethanone
CID 120808109
2-[2-(3,3-dimethylpiperidin-1-yl)-2-oxoethyl]benzoic acid
CID 115923844
2-(4-aminophenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837247
2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119843176

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride (CID 119734675) is 2-(4-aminophenyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride is CC1(C)CCCN(C(=O)Cc2ccc(N)cc2)C1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride?
The InChIKey is YCJJQCYZRKMLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-15(2)8-3-9-17(11-15)14(18)10-12-4-6-13(16)7-5-12;/h4-7H,3,8-11,16H2,1-2H3;1H.
What are the key properties of 2-(4-aminophenyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride?
2-(4-aminophenyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119734675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).