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

C16H24N2O3 — CID 82015246

IUPAC3-(2-aminophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-one
SMILESNc1ccccc1CCC(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C16H24N2O3/c17-15-4-2-1-3-13(15)5-6-16(20)18-9-7-14(8-10-18)21-12-11-19/h1-4,14,19H,5-12,17H2
InChIKeyJWZXZIWPVGFNLE-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.20
Rot. Bonds6

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

3-(2-aminophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-one (PubChem CID 82015246) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-one
PubChem CID82015246
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(2-aminophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-one
SMILESNc1ccccc1CCC(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C16H24N2O3/c17-15-4-2-1-3-13(15)5-6-16(20)18-9-7-14(8-10-18)21-12-11-19/h1-4,14,19H,5-12,17H2
InChIKeyJWZXZIWPVGFNLE-UHFFFAOYSA-N
XLogP1.20
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.20
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 3-(2-aminophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-aminophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-one (CID 82015246) is 3-(2-aminophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-aminophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-aminophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-one is Nc1ccccc1CCC(=O)N1CCC(OCCO)CC1.
What is the InChIKey of 3-(2-aminophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-one?
The InChIKey is JWZXZIWPVGFNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c17-15-4-2-1-3-13(15)5-6-16(20)18-9-7-14(8-10-18)21-12-11-19/h1-4,14,19H,5-12,17H2.
What are the key properties of 3-(2-aminophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-one?
3-(2-aminophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-one has a molecular weight of 292.38 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 82015246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).