2-(4-aminophenyl)-1-(3-methyl-3-propylpiperidin-1-yl)ethanone

C17H26N2O — CID 119791955

IUPAC2-(4-aminophenyl)-1-(3-methyl-3-propylpiperidin-1-yl)ethanone
SMILESCCCC1(C)CCCN(C(=O)Cc2ccc(N)cc2)C1
InChIInChI=1S/C17H26N2O/c1-3-9-17(2)10-4-11-19(13-17)16(20)12-14-5-7-15(18)8-6-14/h5-8H,3-4,9-13,18H2,1-2H3
InChIKeyVQHRGASTXQJQDC-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.24
Rot. Bonds4

About 2-(4-aminophenyl)-1-(3-methyl-3-propylpiperidin-1-yl)ethanone

2-(4-aminophenyl)-1-(3-methyl-3-propylpiperidin-1-yl)ethanone (PubChem CID 119791955) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(3-methyl-3-propylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(3-methyl-3-propylpiperidin-1-yl)ethanone
PubChem CID119791955
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(4-aminophenyl)-1-(3-methyl-3-propylpiperidin-1-yl)ethanone
SMILESCCCC1(C)CCCN(C(=O)Cc2ccc(N)cc2)C1
InChIInChI=1S/C17H26N2O/c1-3-9-17(2)10-4-11-19(13-17)16(20)12-14-5-7-15(18)8-6-14/h5-8H,3-4,9-13,18H2,1-2H3
InChIKeyVQHRGASTXQJQDC-UHFFFAOYSA-N
XLogP3.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.24
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-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119734675
2-(4-aminophenyl)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119811821
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-ethylphenyl)ethanone
CID 120808109
2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 62936167
2-(4-aminophenyl)-1-(2-azaspiro[4.5]decan-2-yl)ethanone
CID 119805305
4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one
CID 119328278
2-(4-aminophenyl)-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone;hydrochloride
CID 119807902
2-[4-(dimethylamino)phenyl]-1-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone
CID 97148077
(2R)-2-amino-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 119328269
2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 16773079
1-[3-(4-aminophenyl)propanoyl]-3-methylpiperidine-3-carboxylic acid
CID 115341439
2-(4-aminophenyl)-N-[(1-methylcyclopentyl)methyl]acetamide;hydrochloride
CID 119780541

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(3-methyl-3-propylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-aminophenyl)-1-(3-methyl-3-propylpiperidin-1-yl)ethanone (CID 119791955) is 2-(4-aminophenyl)-1-(3-methyl-3-propylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-(3-methyl-3-propylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-(3-methyl-3-propylpiperidin-1-yl)ethanone is CCCC1(C)CCCN(C(=O)Cc2ccc(N)cc2)C1.
What is the InChIKey of 2-(4-aminophenyl)-1-(3-methyl-3-propylpiperidin-1-yl)ethanone?
The InChIKey is VQHRGASTXQJQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-9-17(2)10-4-11-19(13-17)16(20)12-14-5-7-15(18)8-6-14/h5-8H,3-4,9-13,18H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-1-(3-methyl-3-propylpiperidin-1-yl)ethanone?
2-(4-aminophenyl)-1-(3-methyl-3-propylpiperidin-1-yl)ethanone has a molecular weight of 274.41 g/mol, XLogP of 3.24, 4 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-methyl-3-propylpiperidin-1-yl)ethanone is sourced from PubChem (CID 119791955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).