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

C17H26N2O2 — CID 82256528

IUPAC1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
SMILESCCC(C(=O)c1ccc(N)cc1)N1CCCCC1CCO
InChIInChI=1S/C17H26N2O2/c1-2-16(17(21)13-6-8-14(18)9-7-13)19-11-4-3-5-15(19)10-12-20/h6-9,15-16,20H,2-5,10-12,18H2,1H3
InChIKeyHMXDZRLBVHWBTK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.47
Rot. Bonds6

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

1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butan-1-one (PubChem CID 82256528) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
PubChem CID82256528
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
SMILESCCC(C(=O)c1ccc(N)cc1)N1CCCCC1CCO
InChIInChI=1S/C17H26N2O2/c1-2-16(17(21)13-6-8-14(18)9-7-13)19-11-4-3-5-15(19)10-12-20/h6-9,15-16,20H,2-5,10-12,18H2,1H3
InChIKeyHMXDZRLBVHWBTK-UHFFFAOYSA-N
XLogP2.47
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butan-1-one (CID 82256528) is 1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butan-1-one is CCC(C(=O)c1ccc(N)cc1)N1CCCCC1CCO.
What is the InChIKey of 1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butan-1-one?
The InChIKey is HMXDZRLBVHWBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-16(17(21)13-6-8-14(18)9-7-13)19-11-4-3-5-15(19)10-12-20/h6-9,15-16,20H,2-5,10-12,18H2,1H3.
What are the key properties of 1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butan-1-one?
1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.47, 6 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]butan-1-one is sourced from PubChem (CID 82256528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).