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

C9H21N3O — CID 174600260

IUPAC2-[2-(1-aminopropyl)piperazin-1-yl]ethanol
SMILESCCC(N)C1CNCCN1CCO
InChIInChI=1S/C9H21N3O/c1-2-8(10)9-7-11-3-4-12(9)5-6-13/h8-9,11,13H,2-7,10H2,1H3
InChIKeyGDPZKUXLNNEFMB-UHFFFAOYSA-N
MW187.29 g/mol
LogP-1.01
Rot. Bonds4

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

2-[2-(1-aminopropyl)piperazin-1-yl]ethanol (PubChem CID 174600260) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-[2-(1-aminopropyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(1-aminopropyl)piperazin-1-yl]ethanol
PubChem CID174600260
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name2-[2-(1-aminopropyl)piperazin-1-yl]ethanol
SMILESCCC(N)C1CNCCN1CCO
InChIInChI=1S/C9H21N3O/c1-2-8(10)9-7-11-3-4-12(9)5-6-13/h8-9,11,13H,2-7,10H2,1H3
InChIKeyGDPZKUXLNNEFMB-UHFFFAOYSA-N
XLogP-1.01
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

2-[2-(1-chloropropyl)piperazin-1-yl]ethanol
CID 141484179
2-hydroxy-1-[1-(2-hydroxyethyl)piperazin-2-yl]propane-1-sulfonic acid
CID 87393390
1-ethyl-2-pentan-3-ylpiperazine
CID 82669117
[1-(2-hydroxyethyl)piperazin-2-yl] ethanesulfonate
CID 175242673
2-butan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64846239
1-(2-hydroxyethyl)piperazine-2-carbonitrile
CID 79085109
2-(1-propylpiperazin-2-yl)propanenitrile
CID 173033600
2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 64845837
1-pent-4-ynyl-2-propan-2-ylpiperazine
CID 106222019
1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine
CID 107901384
1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327087
2-[2-(1-hydroxyethyl)piperazin-1-yl]ethanesulfonate
CID 22138409

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminopropyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[2-(1-aminopropyl)piperazin-1-yl]ethanol (CID 174600260) is 2-[2-(1-aminopropyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[2-(1-aminopropyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[2-(1-aminopropyl)piperazin-1-yl]ethanol is CCC(N)C1CNCCN1CCO.
What is the InChIKey of 2-[2-(1-aminopropyl)piperazin-1-yl]ethanol?
The InChIKey is GDPZKUXLNNEFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-2-8(10)9-7-11-3-4-12(9)5-6-13/h8-9,11,13H,2-7,10H2,1H3.
What are the key properties of 2-[2-(1-aminopropyl)piperazin-1-yl]ethanol?
2-[2-(1-aminopropyl)piperazin-1-yl]ethanol has a molecular weight of 187.29 g/mol, XLogP of -1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminopropyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 174600260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).