1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone

C15H22N2O2 — CID 82256579

IUPAC1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESNc1ccc(C(=O)CN2CCCCC2CCO)cc1
InChIInChI=1S/C15H22N2O2/c16-13-6-4-12(5-7-13)15(19)11-17-9-2-1-3-14(17)8-10-18/h4-7,14,18H,1-3,8-11,16H2
InChIKeyMQBWKHZNDGGVRS-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.69
Rot. Bonds5

About 1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone

1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone (PubChem CID 82256579) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
PubChem CID82256579
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESNc1ccc(C(=O)CN2CCCCC2CCO)cc1
InChIInChI=1S/C15H22N2O2/c16-13-6-4-12(5-7-13)15(19)11-17-9-2-1-3-14(17)8-10-18/h4-7,14,18H,1-3,8-11,16H2
InChIKeyMQBWKHZNDGGVRS-UHFFFAOYSA-N
XLogP1.69
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112748138
1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62035218
2-[1-[2-(4-aminophenyl)ethyl]piperidin-2-yl]ethanol
CID 43519577
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
CID 62467950
2-[2-(hydroxymethyl)azepan-1-yl]-1-(4-methylphenyl)ethanone
CID 116635378
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenacylacetamide
CID 111913601
1-(5-ethylthiophen-2-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62050766
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-propylpiperidin-1-yl)ethanone
CID 83045729
1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 82256528
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanone
CID 62036905
1-(3,4-dihydroxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62035024
2-[2-(hydroxymethyl)azepan-1-yl]-1-(4-propylphenyl)ethanone
CID 116635374

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone (CID 82256579) is 1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone is Nc1ccc(C(=O)CN2CCCCC2CCO)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The InChIKey is MQBWKHZNDGGVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-13-6-4-12(5-7-13)15(19)11-17-9-2-1-3-14(17)8-10-18/h4-7,14,18H,1-3,8-11,16H2.
What are the key properties of 1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone?
1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 82256579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).