(3-aminophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C14H20N2O2 — CID 16789356

IUPAC(3-aminophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESNc1cccc(C(=O)N2CCCCC2CCO)c1
InChIInChI=1S/C14H20N2O2/c15-12-5-3-4-11(10-12)14(18)16-8-2-1-6-13(16)7-9-17/h3-5,10,13,17H,1-2,6-9,15H2
InChIKeyIRKAJYDEDQMVPD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.65
Rot. Bonds3

About (3-aminophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

(3-aminophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 16789356) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3-aminophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID16789356
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3-aminophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESNc1cccc(C(=O)N2CCCCC2CCO)c1
InChIInChI=1S/C14H20N2O2/c15-12-5-3-4-11(10-12)14(18)16-8-2-1-6-13(16)7-9-17/h3-5,10,13,17H,1-2,6-9,15H2
InChIKeyIRKAJYDEDQMVPD-UHFFFAOYSA-N
XLogP1.65
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-aminophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-aminophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 16789356) is (3-aminophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-aminophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-aminophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is Nc1cccc(C(=O)N2CCCCC2CCO)c1.
What is the InChIKey of (3-aminophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is IRKAJYDEDQMVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-12-5-3-4-11(10-12)14(18)16-8-2-1-6-13(16)7-9-17/h3-5,10,13,17H,1-2,6-9,15H2.
What are the key properties of (3-aminophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
(3-aminophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 248.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 16789356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).