2-[4-[(2-amino-5-chlorophenyl)methyl]piperazin-1-yl]ethanol

C13H20ClN3O — CID 79582464

IUPAC2-[4-[(2-amino-5-chlorophenyl)methyl]piperazin-1-yl]ethanol
SMILESNc1ccc(Cl)cc1CN1CCN(CCO)CC1
InChIInChI=1S/C13H20ClN3O/c14-12-1-2-13(15)11(9-12)10-17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8,10,15H2
InChIKeyOVZOOPAEYCLWIW-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.03
Rot. Bonds4

About 2-[4-[(2-amino-5-chlorophenyl)methyl]piperazin-1-yl]ethanol

2-[4-[(2-amino-5-chlorophenyl)methyl]piperazin-1-yl]ethanol (PubChem CID 79582464) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-[4-[(2-amino-5-chlorophenyl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-amino-5-chlorophenyl)methyl]piperazin-1-yl]ethanol
PubChem CID79582464
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-[4-[(2-amino-5-chlorophenyl)methyl]piperazin-1-yl]ethanol
SMILESNc1ccc(Cl)cc1CN1CCN(CCO)CC1
InChIInChI=1S/C13H20ClN3O/c14-12-1-2-13(15)11(9-12)10-17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8,10,15H2
InChIKeyOVZOOPAEYCLWIW-UHFFFAOYSA-N
XLogP1.03
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-5-chlorophenyl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(2-amino-5-chlorophenyl)methyl]piperazin-1-yl]ethanol (CID 79582464) is 2-[4-[(2-amino-5-chlorophenyl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-amino-5-chlorophenyl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2-amino-5-chlorophenyl)methyl]piperazin-1-yl]ethanol is Nc1ccc(Cl)cc1CN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[(2-amino-5-chlorophenyl)methyl]piperazin-1-yl]ethanol?
The InChIKey is OVZOOPAEYCLWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c14-12-1-2-13(15)11(9-12)10-17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8,10,15H2.
What are the key properties of 2-[4-[(2-amino-5-chlorophenyl)methyl]piperazin-1-yl]ethanol?
2-[4-[(2-amino-5-chlorophenyl)methyl]piperazin-1-yl]ethanol has a molecular weight of 269.78 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-5-chlorophenyl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 79582464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).