2-[3-(3-aminopropyl)piperazin-1-yl]ethanol

C9H21N3O — CID 70536907

IUPAC2-[3-(3-aminopropyl)piperazin-1-yl]ethanol
SMILESNCCCC1CN(CCO)CCN1
InChIInChI=1S/C9H21N3O/c10-3-1-2-9-8-12(6-7-13)5-4-11-9/h9,11,13H,1-8,10H2
InChIKeyAFIXRADWUOAJNL-UHFFFAOYSA-N
MW187.29 g/mol
LogP-1.01
Rot. Bonds5

About 2-[3-(3-aminopropyl)piperazin-1-yl]ethanol

2-[3-(3-aminopropyl)piperazin-1-yl]ethanol (PubChem CID 70536907) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-[3-(3-aminopropyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(3-aminopropyl)piperazin-1-yl]ethanol
PubChem CID70536907
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name2-[3-(3-aminopropyl)piperazin-1-yl]ethanol
SMILESNCCCC1CN(CCO)CCN1
InChIInChI=1S/C9H21N3O/c10-3-1-2-9-8-12(6-7-13)5-4-11-9/h9,11,13H,1-8,10H2
InChIKeyAFIXRADWUOAJNL-UHFFFAOYSA-N
XLogP-1.01
TPSA61.52 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 ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-aminopropyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[3-(3-aminopropyl)piperazin-1-yl]ethanol (CID 70536907) is 2-[3-(3-aminopropyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[3-(3-aminopropyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[3-(3-aminopropyl)piperazin-1-yl]ethanol is NCCCC1CN(CCO)CCN1.
What is the InChIKey of 2-[3-(3-aminopropyl)piperazin-1-yl]ethanol?
The InChIKey is AFIXRADWUOAJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c10-3-1-2-9-8-12(6-7-13)5-4-11-9/h9,11,13H,1-8,10H2.
What are the key properties of 2-[3-(3-aminopropyl)piperazin-1-yl]ethanol?
2-[3-(3-aminopropyl)piperazin-1-yl]ethanol has a molecular weight of 187.29 g/mol, XLogP of -1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-aminopropyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 70536907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).