2-[piperazin-2-yl(propyl)amino]ethanol

C9H21N3O — CID 67699377

IUPAC2-[piperazin-2-yl(propyl)amino]ethanol
SMILESCCCN(CCO)C1CNCCN1
InChIInChI=1S/C9H21N3O/c1-2-5-12(6-7-13)9-8-10-3-4-11-9/h9-11,13H,2-8H2,1H3
InChIKeyXVCLEGIERZUEQJ-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.79
Rot. Bonds5

About 2-[piperazin-2-yl(propyl)amino]ethanol

2-[piperazin-2-yl(propyl)amino]ethanol (PubChem CID 67699377) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-[piperazin-2-yl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[piperazin-2-yl(propyl)amino]ethanol
PubChem CID67699377
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name2-[piperazin-2-yl(propyl)amino]ethanol
SMILESCCCN(CCO)C1CNCCN1
InChIInChI=1S/C9H21N3O/c1-2-5-12(6-7-13)9-8-10-3-4-11-9/h9-11,13H,2-8H2,1H3
InChIKeyXVCLEGIERZUEQJ-UHFFFAOYSA-N
XLogP-0.79
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[piperazin-2-yl(propyl)amino]ethanol?
The IUPAC name of 2-[piperazin-2-yl(propyl)amino]ethanol (CID 67699377) is 2-[piperazin-2-yl(propyl)amino]ethanol.
What is the SMILES notation for 2-[piperazin-2-yl(propyl)amino]ethanol?
The canonical SMILES for 2-[piperazin-2-yl(propyl)amino]ethanol is CCCN(CCO)C1CNCCN1.
What is the InChIKey of 2-[piperazin-2-yl(propyl)amino]ethanol?
The InChIKey is XVCLEGIERZUEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-2-5-12(6-7-13)9-8-10-3-4-11-9/h9-11,13H,2-8H2,1H3.
What are the key properties of 2-[piperazin-2-yl(propyl)amino]ethanol?
2-[piperazin-2-yl(propyl)amino]ethanol has a molecular weight of 187.29 g/mol, XLogP of -0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperazin-2-yl(propyl)amino]ethanol is sourced from PubChem (CID 67699377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).