1-amino-1-piperazin-1-ylethanol

C6H15N3O — CID 57320675

IUPAC1-amino-1-piperazin-1-ylethanol
SMILESCC(N)(O)N1CCNCC1
InChIInChI=1S/C6H15N3O/c1-6(7,10)9-4-2-8-3-5-9/h8,10H,2-5,7H2,1H3
InChIKeyUVFJOINFJRUFRD-UHFFFAOYSA-N
MW145.21 g/mol
LogP-1.48
Rot. Bonds1

About 1-amino-1-piperazin-1-ylethanol

1-amino-1-piperazin-1-ylethanol (PubChem CID 57320675) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 1-amino-1-piperazin-1-ylethanol.

Molecular Properties

Compound Name1-amino-1-piperazin-1-ylethanol
PubChem CID57320675
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name1-amino-1-piperazin-1-ylethanol
SMILESCC(N)(O)N1CCNCC1
InChIInChI=1S/C6H15N3O/c1-6(7,10)9-4-2-8-3-5-9/h8,10H,2-5,7H2,1H3
InChIKeyUVFJOINFJRUFRD-UHFFFAOYSA-N
XLogP-1.48
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-piperazin-1-ylpropan-2-amine
CID 54235590
1-iodo-1-piperazin-1-ylethanol
CID 66895904
2,4-dimethyl-4-piperazin-1-ylpentan-2-amine
CID 154551256
1-tert-butylpiperazine;ethane;methane
CID 161367706
1-piperazin-1-ylethane-1,1-dithiol
CID 54504790
1,2-di(piperazin-1-yl)propan-2-ol
CID 57284131
1-piperazin-1-ylethane-1,1,2,2-tetramine
CID 175066978
1-cyclohexyl-1-piperazin-1-ylethanol
CID 69265314
ethyl 2-methyl-2-piperazin-1-ylbutanoate
CID 61001895
1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine
CID 158347014
2-hydroxy-4,4-dimethyl-2-piperazin-1-ylpentanoic acid
CID 69422963
1-piperazin-1-ylprop-2-ene-1,1-diamine
CID 66900154

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-piperazin-1-ylethanol?
The IUPAC name of 1-amino-1-piperazin-1-ylethanol (CID 57320675) is 1-amino-1-piperazin-1-ylethanol.
What is the SMILES notation for 1-amino-1-piperazin-1-ylethanol?
The canonical SMILES for 1-amino-1-piperazin-1-ylethanol is CC(N)(O)N1CCNCC1.
What is the InChIKey of 1-amino-1-piperazin-1-ylethanol?
The InChIKey is UVFJOINFJRUFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-6(7,10)9-4-2-8-3-5-9/h8,10H,2-5,7H2,1H3.
What are the key properties of 1-amino-1-piperazin-1-ylethanol?
1-amino-1-piperazin-1-ylethanol has a molecular weight of 145.21 g/mol, XLogP of -1.48, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-piperazin-1-ylethanol is sourced from PubChem (CID 57320675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).