4-(4-ethylpiperazin-1-yl)butan-1-ol

C10H22N2O — CID 22218523

IUPAC4-(4-ethylpiperazin-1-yl)butan-1-ol
SMILESCCN1CCN(CCCCO)CC1
InChIInChI=1S/C10H22N2O/c1-2-11-6-8-12(9-7-11)5-3-4-10-13/h13H,2-10H2,1H3
InChIKeyQNINQNAGDRKECY-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.40
Rot. Bonds5

About 4-(4-ethylpiperazin-1-yl)butan-1-ol

4-(4-ethylpiperazin-1-yl)butan-1-ol (PubChem CID 22218523) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)butan-1-ol
PubChem CID22218523
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-(4-ethylpiperazin-1-yl)butan-1-ol
SMILESCCN1CCN(CCCCO)CC1
InChIInChI=1S/C10H22N2O/c1-2-11-6-8-12(9-7-11)5-3-4-10-13/h13H,2-10H2,1H3
InChIKeyQNINQNAGDRKECY-UHFFFAOYSA-N
XLogP0.40
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.40
H-Bond Donors ≤ 51
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-(4-ethylpiperazin-1-yl)butan-1-ol?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)butan-1-ol (CID 22218523) is 4-(4-ethylpiperazin-1-yl)butan-1-ol.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)butan-1-ol?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)butan-1-ol is CCN1CCN(CCCCO)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)butan-1-ol?
The InChIKey is QNINQNAGDRKECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-2-11-6-8-12(9-7-11)5-3-4-10-13/h13H,2-10H2,1H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)butan-1-ol?
4-(4-ethylpiperazin-1-yl)butan-1-ol has a molecular weight of 186.30 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)butan-1-ol is sourced from PubChem (CID 22218523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).