[4-(2-hydroxyethyl)piperidin-1-yl] benzoate

C14H19NO3 — CID 126581762

IUPAC[4-(2-hydroxyethyl)piperidin-1-yl] benzoate
SMILESO=C(ON1CCC(CCO)CC1)c1ccccc1
InChIInChI=1S/C14H19NO3/c16-11-8-12-6-9-15(10-7-12)18-14(17)13-4-2-1-3-5-13/h1-5,12,16H,6-11H2
InChIKeyLVRXJJJXGKBGAW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.85
Rot. Bonds4

About [4-(2-hydroxyethyl)piperidin-1-yl] benzoate

[4-(2-hydroxyethyl)piperidin-1-yl] benzoate (PubChem CID 126581762) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperidin-1-yl] benzoate.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperidin-1-yl] benzoate
PubChem CID126581762
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[4-(2-hydroxyethyl)piperidin-1-yl] benzoate
SMILESO=C(ON1CCC(CCO)CC1)c1ccccc1
InChIInChI=1S/C14H19NO3/c16-11-8-12-6-9-15(10-7-12)18-14(17)13-4-2-1-3-5-13/h1-5,12,16H,6-11H2
InChIKeyLVRXJJJXGKBGAW-UHFFFAOYSA-N
XLogP1.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-hydroxyethyl)piperidin-1-yl] benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperidin-1-yl] benzoate?
The IUPAC name of [4-(2-hydroxyethyl)piperidin-1-yl] benzoate (CID 126581762) is [4-(2-hydroxyethyl)piperidin-1-yl] benzoate.
What is the SMILES notation for [4-(2-hydroxyethyl)piperidin-1-yl] benzoate?
The canonical SMILES for [4-(2-hydroxyethyl)piperidin-1-yl] benzoate is O=C(ON1CCC(CCO)CC1)c1ccccc1.
What is the InChIKey of [4-(2-hydroxyethyl)piperidin-1-yl] benzoate?
The InChIKey is LVRXJJJXGKBGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-11-8-12-6-9-15(10-7-12)18-14(17)13-4-2-1-3-5-13/h1-5,12,16H,6-11H2.
What are the key properties of [4-(2-hydroxyethyl)piperidin-1-yl] benzoate?
[4-(2-hydroxyethyl)piperidin-1-yl] benzoate has a molecular weight of 249.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperidin-1-yl] benzoate is sourced from PubChem (CID 126581762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).