3-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one

C16H24N2O2 — CID 107209704

IUPAC3-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESNc1ccc(CCC(=O)N2CCCC(CCO)C2)cc1
InChIInChI=1S/C16H24N2O2/c17-15-6-3-13(4-7-15)5-8-16(20)18-10-1-2-14(12-18)9-11-19/h3-4,6-7,14,19H,1-2,5,8-12,17H2
InChIKeyPZSILIYJYYKOEY-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.82
Rot. Bonds5

About 3-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one

3-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one (PubChem CID 107209704) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
PubChem CID107209704
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESNc1ccc(CCC(=O)N2CCCC(CCO)C2)cc1
InChIInChI=1S/C16H24N2O2/c17-15-6-3-13(4-7-15)5-8-16(20)18-10-1-2-14(12-18)9-11-19/h3-4,6-7,14,19H,1-2,5,8-12,17H2
InChIKeyPZSILIYJYYKOEY-UHFFFAOYSA-N
XLogP1.82
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-(4-aminophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107209724
1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one
CID 115277223
1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 62372342
1-[3-(bromomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 80660782
2-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 107217079
3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107216510
4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 107217065
3-(2-aminophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 114799225
2-benzylsulfanyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62356079
7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 107216980
3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 61114719
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-phenylsulfanylpropan-1-one
CID 62357288

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one (CID 107209704) is 3-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one is Nc1ccc(CCC(=O)N2CCCC(CCO)C2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The InChIKey is PZSILIYJYYKOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-15-6-3-13(4-7-15)5-8-16(20)18-10-1-2-14(12-18)9-11-19/h3-4,6-7,14,19H,1-2,5,8-12,17H2.
What are the key properties of 3-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
3-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 107209704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).