2-(4-aminophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one

C16H24N2O2 — CID 80555880

IUPAC2-(4-aminophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCC(CO)CC1)c1ccc(N)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2,13-3-5-14(17)6-4-13)15(20)18-9-7-12(11-19)8-10-18/h3-6,12,19H,7-11,17H2,1-2H3
InChIKeyXFXRRWPAQAYBOA-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.78
Rot. Bonds3

About 2-(4-aminophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one

2-(4-aminophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 80555880) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID80555880
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(4-aminophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCC(CO)CC1)c1ccc(N)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2,13-3-5-14(17)6-4-13)15(20)18-9-7-12(11-19)8-10-18/h3-6,12,19H,7-11,17H2,1-2H3
InChIKeyXFXRRWPAQAYBOA-UHFFFAOYSA-N
XLogP1.78
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 107217079
2-(4-aminophenyl)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114678428
2-(4-aminophenyl)-1-(3-ethylpiperidin-1-yl)-2-methylpropan-1-one
CID 80556941
2-(4-aminophenyl)-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 107220792
1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one
CID 119374869
1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119373668
2-[1-[2-(4-ethylphenyl)-2-methylpropanoyl]piperidin-4-yl]acetic acid
CID 120684662
2-(4-aminophenyl)-2-methyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 80555348
1-[2-(4-aminophenyl)-2-methylpropanoyl]azetidine-3-carboxylic acid
CID 80556175
3-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 82821924
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 119622987

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-(4-aminophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one (CID 80555880) is 2-(4-aminophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-aminophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-(4-aminophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one is CC(C)(C(=O)N1CCC(CO)CC1)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is XFXRRWPAQAYBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,13-3-5-14(17)6-4-13)15(20)18-9-7-12(11-19)8-10-18/h3-6,12,19H,7-11,17H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one?
2-(4-aminophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.78, 3 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-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 80555880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).