2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone

C15H22N2O — CID 62936167

IUPAC2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
SMILESCC1(C)CCN(C(=O)Cc2ccc(N)cc2)CC1
InChIInChI=1S/C15H22N2O/c1-15(2)7-9-17(10-8-15)14(18)11-12-3-5-13(16)6-4-12/h3-6H,7-11,16H2,1-2H3
InChIKeyKFCXIXSANWXLSS-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.46
Rot. Bonds2

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

2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone (PubChem CID 62936167) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
PubChem CID62936167
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
SMILESCC1(C)CCN(C(=O)Cc2ccc(N)cc2)CC1
InChIInChI=1S/C15H22N2O/c1-15(2)7-9-17(10-8-15)14(18)11-12-3-5-13(16)6-4-12/h3-6H,7-11,16H2,1-2H3
InChIKeyKFCXIXSANWXLSS-UHFFFAOYSA-N
XLogP2.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.46
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-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 55214674
2-(4-aminophenyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119734675
2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 16773079
3-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)butan-1-one
CID 104502582
2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone
CID 119805305
2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119843176
2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]acetamide
CID 60964094
2-(4-aminophenyl)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119811821
2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879430
2-(4-aminophenyl)-1-(3-methyl-3-propylpiperidin-1-yl)ethanone
CID 119791955
2-[2-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 81322025
N-[4-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 80702262

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone (CID 62936167) is 2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone is CC1(C)CCN(C(=O)Cc2ccc(N)cc2)CC1.
What is the InChIKey of 2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone?
The InChIKey is KFCXIXSANWXLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2)7-9-17(10-8-15)14(18)11-12-3-5-13(16)6-4-12/h3-6H,7-11,16H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone?
2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone has a molecular weight of 246.35 g/mol, XLogP of 2.46, 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-(4,4-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 62936167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).