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

C9H19ClN2O — CID 141484179

IUPAC2-[2-(1-chloropropyl)piperazin-1-yl]ethanol
SMILESCCC(Cl)C1CNCCN1CCO
InChIInChI=1S/C9H19ClN2O/c1-2-8(10)9-7-11-3-4-12(9)5-6-13/h8-9,11,13H,2-7H2,1H3
InChIKeyKUJLMBXAVWADTH-UHFFFAOYSA-N
MW206.72 g/mol
LogP0.27
Rot. Bonds4

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

2-[2-(1-chloropropyl)piperazin-1-yl]ethanol (PubChem CID 141484179) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is 2-[2-(1-chloropropyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(1-chloropropyl)piperazin-1-yl]ethanol
PubChem CID141484179
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name2-[2-(1-chloropropyl)piperazin-1-yl]ethanol
SMILESCCC(Cl)C1CNCCN1CCO
InChIInChI=1S/C9H19ClN2O/c1-2-8(10)9-7-11-3-4-12(9)5-6-13/h8-9,11,13H,2-7H2,1H3
InChIKeyKUJLMBXAVWADTH-UHFFFAOYSA-N
XLogP0.27
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1-aminopropyl)piperazin-1-yl]ethanol
CID 174600260
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
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-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine
CID 107901384
1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327087
2-butan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64846239
2-[2-(1-hydroxyethyl)piperazin-1-yl]ethanesulfonate
CID 22138409
2-butan-2-yl-1-[(4-ethylphenyl)methyl]piperazine
CID 64844062

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-chloropropyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[2-(1-chloropropyl)piperazin-1-yl]ethanol (CID 141484179) is 2-[2-(1-chloropropyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[2-(1-chloropropyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[2-(1-chloropropyl)piperazin-1-yl]ethanol is CCC(Cl)C1CNCCN1CCO.
What is the InChIKey of 2-[2-(1-chloropropyl)piperazin-1-yl]ethanol?
The InChIKey is KUJLMBXAVWADTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2O/c1-2-8(10)9-7-11-3-4-12(9)5-6-13/h8-9,11,13H,2-7H2,1H3.
What are the key properties of 2-[2-(1-chloropropyl)piperazin-1-yl]ethanol?
2-[2-(1-chloropropyl)piperazin-1-yl]ethanol has a molecular weight of 206.72 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-chloropropyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 141484179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).