2-(4-aminophenyl)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one

C16H24N2O2 — CID 114678428

IUPAC2-(4-aminophenyl)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCC1CN(C(=O)C(C)(C)c2ccc(N)cc2)CCC1O
InChIInChI=1S/C16H24N2O2/c1-11-10-18(9-8-14(11)19)15(20)16(2,3)12-4-6-13(17)7-5-12/h4-7,11,14,19H,8-10,17H2,1-3H3
InChIKeyOHTCJQJPFNGKOR-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.78
Rot. Bonds2

About 2-(4-aminophenyl)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one

2-(4-aminophenyl)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 114678428) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
PubChem CID114678428
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(4-aminophenyl)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCC1CN(C(=O)C(C)(C)c2ccc(N)cc2)CCC1O
InChIInChI=1S/C16H24N2O2/c1-11-10-18(9-8-14(11)19)15(20)16(2,3)12-4-6-13(17)7-5-12/h4-7,11,14,19H,8-10,17H2,1-3H3
InChIKeyOHTCJQJPFNGKOR-UHFFFAOYSA-N
XLogP1.78
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 80556796
2-(4-aminophenyl)-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 107220792
2-(4-aminophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 80555880
2-(4-aminophenyl)-1-(3-ethylpiperidin-1-yl)-2-methylpropan-1-one
CID 80556941
1-(4-amino-3-methylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 119592342
1-[2-(4-aminophenyl)-2-methylpropanoyl]azetidine-3-carboxylic acid
CID 80556175
2-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 107217079
2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)-2-methylpropan-1-one
CID 80556940
1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-one
CID 114509918
1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119373668
2-(4-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114680050
2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 111824454

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 2-(4-aminophenyl)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one (CID 114678428) is 2-(4-aminophenyl)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-aminophenyl)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-(4-aminophenyl)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one is CC1CN(C(=O)C(C)(C)c2ccc(N)cc2)CCC1O.
What is the InChIKey of 2-(4-aminophenyl)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is OHTCJQJPFNGKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-10-18(9-8-14(11)19)15(20)16(2,3)12-4-6-13(17)7-5-12/h4-7,11,14,19H,8-10,17H2,1-3H3.
What are the key properties of 2-(4-aminophenyl)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one?
2-(4-aminophenyl)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 114678428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).