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

C17H26N2O2 — CID 107217079

IUPAC2-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCCC(CCO)C1)c1ccc(N)cc1
InChIInChI=1S/C17H26N2O2/c1-17(2,14-5-7-15(18)8-6-14)16(21)19-10-3-4-13(12-19)9-11-20/h5-8,13,20H,3-4,9-12,18H2,1-2H3
InChIKeyKTHVORBFQARQIW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.17
Rot. Bonds4

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

2-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 107217079) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID107217079
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCCC(CCO)C1)c1ccc(N)cc1
InChIInChI=1S/C17H26N2O2/c1-17(2,14-5-7-15(18)8-6-14)16(21)19-10-3-4-13(12-19)9-11-20/h5-8,13,20H,3-4,9-12,18H2,1-2H3
InChIKeyKTHVORBFQARQIW-UHFFFAOYSA-N
XLogP2.17
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.17
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)-1-(3-ethylpiperidin-1-yl)-2-methylpropan-1-one
CID 80556941
2-(4-aminophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 80555880
2-(4-aminophenyl)-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 80556796
3-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107209704
2-(4-aminophenyl)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114678428
2-(4-aminophenyl)-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 107220792
2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119395655
2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 113357324
3-(4-aminophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107209724
2-(4-chlorophenyl)-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119394762
2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 111824454
(5-amino-2-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209671

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one (CID 107217079) is 2-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one is CC(C)(C(=O)N1CCCC(CCO)C1)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is KTHVORBFQARQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,14-5-7-15(18)8-6-14)16(21)19-10-3-4-13(12-19)9-11-20/h5-8,13,20H,3-4,9-12,18H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one?
2-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 107217079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).