1-(4-piperazin-1-ylphenyl)propan-2-ol;1-(5-piperazin-1-yl-3-pyridinyl)ethanol

C24H37N5O2 — CID 159676259

IUPAC1-(4-piperazin-1-ylphenyl)propan-2-ol;1-(5-piperazin-1-yl-3-pyridinyl)ethanol
SMILESCC(O)Cc1ccc(N2CCNCC2)cc1.CC(O)c1cncc(N2CCNCC2)c1
InChIInChI=1S/C13H20N2O.C11H17N3O/c1-11(16)10-12-2-4-13(5-3-12)15-8-6-14-7-9-15;1-9(15)10-6-11(8-13-7-10)14-4-2-12-3-5-14/h2-5,11,14,16H,6-10H2,1H3;6-9,12,15H,2-5H2,1H3
InChIKeyMUQBYSXPNYDDJH-UHFFFAOYSA-N
MW427.59 g/mol
LogP1.56
Rot. Bonds5

About 1-(4-piperazin-1-ylphenyl)propan-2-ol;1-(5-piperazin-1-yl-3-pyridinyl)ethanol

1-(4-piperazin-1-ylphenyl)propan-2-ol;1-(5-piperazin-1-yl-3-pyridinyl)ethanol (PubChem CID 159676259) has the molecular formula C24H37N5O2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 1-(4-piperazin-1-ylphenyl)propan-2-ol;1-(5-piperazin-1-yl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(4-piperazin-1-ylphenyl)propan-2-ol;1-(5-piperazin-1-yl-3-pyridinyl)ethanol
PubChem CID159676259
Molecular FormulaC24H37N5O2
Molecular Weight427.59 g/mol
Exact Mass427.29
IUPAC Name1-(4-piperazin-1-ylphenyl)propan-2-ol;1-(5-piperazin-1-yl-3-pyridinyl)ethanol
SMILESCC(O)Cc1ccc(N2CCNCC2)cc1.CC(O)c1cncc(N2CCNCC2)c1
InChIInChI=1S/C13H20N2O.C11H17N3O/c1-11(16)10-12-2-4-13(5-3-12)15-8-6-14-7-9-15;1-9(15)10-6-11(8-13-7-10)14-4-2-12-3-5-14/h2-5,11,14,16H,6-10H2,1H3;6-9,12,15H,2-5H2,1H3
InChIKeyMUQBYSXPNYDDJH-UHFFFAOYSA-N
XLogP1.56
TPSA83.89 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperazin-1-ylphenyl)propan-2-ol;1-(5-piperazin-1-yl-3-pyridinyl)ethanol?
The IUPAC name of 1-(4-piperazin-1-ylphenyl)propan-2-ol;1-(5-piperazin-1-yl-3-pyridinyl)ethanol (CID 159676259) is 1-(4-piperazin-1-ylphenyl)propan-2-ol;1-(5-piperazin-1-yl-3-pyridinyl)ethanol.
What is the SMILES notation for 1-(4-piperazin-1-ylphenyl)propan-2-ol;1-(5-piperazin-1-yl-3-pyridinyl)ethanol?
The canonical SMILES for 1-(4-piperazin-1-ylphenyl)propan-2-ol;1-(5-piperazin-1-yl-3-pyridinyl)ethanol is CC(O)Cc1ccc(N2CCNCC2)cc1.CC(O)c1cncc(N2CCNCC2)c1.
What is the InChIKey of 1-(4-piperazin-1-ylphenyl)propan-2-ol;1-(5-piperazin-1-yl-3-pyridinyl)ethanol?
The InChIKey is MUQBYSXPNYDDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C11H17N3O/c1-11(16)10-12-2-4-13(5-3-12)15-8-6-14-7-9-15;1-9(15)10-6-11(8-13-7-10)14-4-2-12-3-5-14/h2-5,11,14,16H,6-10H2,1H3;6-9,12,15H,2-5H2,1H3.
What are the key properties of 1-(4-piperazin-1-ylphenyl)propan-2-ol;1-(5-piperazin-1-yl-3-pyridinyl)ethanol?
1-(4-piperazin-1-ylphenyl)propan-2-ol;1-(5-piperazin-1-yl-3-pyridinyl)ethanol has a molecular weight of 427.59 g/mol, XLogP of 1.56, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperazin-1-ylphenyl)propan-2-ol;1-(5-piperazin-1-yl-3-pyridinyl)ethanol is sourced from PubChem (CID 159676259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).