3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(hydroxymethyl)propanamide

C10H21N3O3 — CID 122217061

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(hydroxymethyl)propanamide
SMILESO=C(CCN1CCN(CCO)CC1)NCO
InChIInChI=1S/C10H21N3O3/c14-8-7-13-5-3-12(4-6-13)2-1-10(16)11-9-15/h14-15H,1-9H2,(H,11,16)
InChIKeyRHXSXZRTXGDLQY-UHFFFAOYSA-N
MW231.30 g/mol
LogP-1.95
Rot. Bonds6

About 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(hydroxymethyl)propanamide

3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(hydroxymethyl)propanamide (PubChem CID 122217061) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(hydroxymethyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(hydroxymethyl)propanamide
PubChem CID122217061
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(hydroxymethyl)propanamide
SMILESO=C(CCN1CCN(CCO)CC1)NCO
InChIInChI=1S/C10H21N3O3/c14-8-7-13-5-3-12(4-6-13)2-1-10(16)11-9-15/h14-15H,1-9H2,(H,11,16)
InChIKeyRHXSXZRTXGDLQY-UHFFFAOYSA-N
XLogP-1.95
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(hydroxymethyl)propanamide?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(hydroxymethyl)propanamide (CID 122217061) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(hydroxymethyl)propanamide.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(hydroxymethyl)propanamide?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(hydroxymethyl)propanamide is O=C(CCN1CCN(CCO)CC1)NCO.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(hydroxymethyl)propanamide?
The InChIKey is RHXSXZRTXGDLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c14-8-7-13-5-3-12(4-6-13)2-1-10(16)11-9-15/h14-15H,1-9H2,(H,11,16).
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(hydroxymethyl)propanamide?
3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(hydroxymethyl)propanamide has a molecular weight of 231.30 g/mol, XLogP of -1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(hydroxymethyl)propanamide is sourced from PubChem (CID 122217061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).