1-(4-aminophenyl)-2-(4-methylpiperidin-1-yl)butan-1-one

C16H24N2O — CID 82256532

IUPAC1-(4-aminophenyl)-2-(4-methylpiperidin-1-yl)butan-1-one
SMILESCCC(C(=O)c1ccc(N)cc1)N1CCC(C)CC1
InChIInChI=1S/C16H24N2O/c1-3-15(18-10-8-12(2)9-11-18)16(19)13-4-6-14(17)7-5-13/h4-7,12,15H,3,8-11,17H2,1-2H3
InChIKeyTXZSLDAFJBTJON-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.96
Rot. Bonds4

About 1-(4-aminophenyl)-2-(4-methylpiperidin-1-yl)butan-1-one

1-(4-aminophenyl)-2-(4-methylpiperidin-1-yl)butan-1-one (PubChem CID 82256532) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(4-methylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(4-methylpiperidin-1-yl)butan-1-one
PubChem CID82256532
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(4-aminophenyl)-2-(4-methylpiperidin-1-yl)butan-1-one
SMILESCCC(C(=O)c1ccc(N)cc1)N1CCC(C)CC1
InChIInChI=1S/C16H24N2O/c1-3-15(18-10-8-12(2)9-11-18)16(19)13-4-6-14(17)7-5-13/h4-7,12,15H,3,8-11,17H2,1-2H3
InChIKeyTXZSLDAFJBTJON-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)butan-1-one
CID 82256543
1-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)butan-1-one
CID 82256533
1-[1-(4-aminophenyl)-1-oxobutan-2-yl]piperidine-3-carboxylic acid
CID 82256522
1-(4-aminophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 82256537
ethyl 2-(4-methylpiperidin-1-yl)butanoate
CID 64663481
1-phenyl-2-(4-propylpiperidin-1-yl)butan-1-one
CID 63567919
1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 82256528
1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one
CID 43228135
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 62062745
2-[1-[1-(4-carbamimidoylphenyl)-1-oxobutan-2-yl]piperidin-4-yl]oxyacetic acid
CID 54505197
1-(3-amino-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)butan-1-one
CID 82256692
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 64598997

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(4-methylpiperidin-1-yl)butan-1-one?
The IUPAC name of 1-(4-aminophenyl)-2-(4-methylpiperidin-1-yl)butan-1-one (CID 82256532) is 1-(4-aminophenyl)-2-(4-methylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 1-(4-aminophenyl)-2-(4-methylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 1-(4-aminophenyl)-2-(4-methylpiperidin-1-yl)butan-1-one is CCC(C(=O)c1ccc(N)cc1)N1CCC(C)CC1.
What is the InChIKey of 1-(4-aminophenyl)-2-(4-methylpiperidin-1-yl)butan-1-one?
The InChIKey is TXZSLDAFJBTJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-15(18-10-8-12(2)9-11-18)16(19)13-4-6-14(17)7-5-13/h4-7,12,15H,3,8-11,17H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-2-(4-methylpiperidin-1-yl)butan-1-one?
1-(4-aminophenyl)-2-(4-methylpiperidin-1-yl)butan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(4-methylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 82256532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).