4-piperazin-1-ylbutan-1-ol

C8H18N2O — CID 4777782

IUPAC4-piperazin-1-ylbutan-1-ol
SMILESOCCCCN1CCNCC1
InChIInChI=1S/C8H18N2O/c11-8-2-1-5-10-6-3-9-4-7-10/h9,11H,1-8H2
InChIKeyRTZVLCNTVAXFMJ-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.34
Rot. Bonds4

About 4-piperazin-1-ylbutan-1-ol

4-piperazin-1-ylbutan-1-ol (PubChem CID 4777782) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-piperazin-1-ylbutan-1-ol.

Molecular Properties

Compound Name4-piperazin-1-ylbutan-1-ol
PubChem CID4777782
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name4-piperazin-1-ylbutan-1-ol
SMILESOCCCCN1CCNCC1
InChIInChI=1S/C8H18N2O/c11-8-2-1-5-10-6-3-9-4-7-10/h9,11H,1-8H2
InChIKeyRTZVLCNTVAXFMJ-UHFFFAOYSA-N
XLogP-0.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylbutan-1-ol?
The IUPAC name of 4-piperazin-1-ylbutan-1-ol (CID 4777782) is 4-piperazin-1-ylbutan-1-ol.
What is the SMILES notation for 4-piperazin-1-ylbutan-1-ol?
The canonical SMILES for 4-piperazin-1-ylbutan-1-ol is OCCCCN1CCNCC1.
What is the InChIKey of 4-piperazin-1-ylbutan-1-ol?
The InChIKey is RTZVLCNTVAXFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c11-8-2-1-5-10-6-3-9-4-7-10/h9,11H,1-8H2.
What are the key properties of 4-piperazin-1-ylbutan-1-ol?
4-piperazin-1-ylbutan-1-ol has a molecular weight of 158.24 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylbutan-1-ol is sourced from PubChem (CID 4777782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).