1-piperazin-1-yloxypiperazine;2-prop-2-enylphenol

C17H28N4O2 — CID 67837577

IUPAC1-piperazin-1-yloxypiperazine;2-prop-2-enylphenol
SMILESC1CN(ON2CCNCC2)CCN1.C=CCc1ccccc1O
InChIInChI=1S/C9H10O.C8H18N4O/c1-2-5-8-6-3-4-7-9(8)10;1-5-11(6-2-9-1)13-12-7-3-10-4-8-12/h2-4,6-7,10H,1,5H2;9-10H,1-8H2
InChIKeyRPRWYQJJMGMPGU-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.76
Rot. Bonds4

About 1-piperazin-1-yloxypiperazine;2-prop-2-enylphenol

1-piperazin-1-yloxypiperazine;2-prop-2-enylphenol (PubChem CID 67837577) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-piperazin-1-yloxypiperazine;2-prop-2-enylphenol.

Molecular Properties

Compound Name1-piperazin-1-yloxypiperazine;2-prop-2-enylphenol
PubChem CID67837577
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-piperazin-1-yloxypiperazine;2-prop-2-enylphenol
SMILESC1CN(ON2CCNCC2)CCN1.C=CCc1ccccc1O
InChIInChI=1S/C9H10O.C8H18N4O/c1-2-5-8-6-3-4-7-9(8)10;1-5-11(6-2-9-1)13-12-7-3-10-4-8-12/h2-4,6-7,10H,1,5H2;9-10H,1-8H2
InChIKeyRPRWYQJJMGMPGU-UHFFFAOYSA-N
XLogP0.76
TPSA60.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yloxypiperazine;2-prop-2-enylphenol?
The IUPAC name of 1-piperazin-1-yloxypiperazine;2-prop-2-enylphenol (CID 67837577) is 1-piperazin-1-yloxypiperazine;2-prop-2-enylphenol.
What is the SMILES notation for 1-piperazin-1-yloxypiperazine;2-prop-2-enylphenol?
The canonical SMILES for 1-piperazin-1-yloxypiperazine;2-prop-2-enylphenol is C1CN(ON2CCNCC2)CCN1.C=CCc1ccccc1O.
What is the InChIKey of 1-piperazin-1-yloxypiperazine;2-prop-2-enylphenol?
The InChIKey is RPRWYQJJMGMPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C8H18N4O/c1-2-5-8-6-3-4-7-9(8)10;1-5-11(6-2-9-1)13-12-7-3-10-4-8-12/h2-4,6-7,10H,1,5H2;9-10H,1-8H2.
What are the key properties of 1-piperazin-1-yloxypiperazine;2-prop-2-enylphenol?
1-piperazin-1-yloxypiperazine;2-prop-2-enylphenol has a molecular weight of 320.44 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yloxypiperazine;2-prop-2-enylphenol is sourced from PubChem (CID 67837577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).