ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol

C14H34N2O2 — CID 142367721

IUPACethane;4-(2-piperazin-1-ylethoxy)butan-1-ol
SMILESCC.CC.OCCCCOCCN1CCNCC1
InChIInChI=1S/C10H22N2O2.2C2H6/c13-8-1-2-9-14-10-7-12-5-3-11-4-6-12;2*1-2/h11,13H,1-10H2;2*1-2H3
InChIKeyWEJHREDSJBJPFL-UHFFFAOYSA-N
MW262.44 g/mol
LogP1.73
Rot. Bonds7

About ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol

ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol (PubChem CID 142367721) has the molecular formula C14H34N2O2 and a molecular weight of 262.44 g/mol. Its IUPAC name is ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol.

Molecular Properties

Compound Nameethane;4-(2-piperazin-1-ylethoxy)butan-1-ol
PubChem CID142367721
Molecular FormulaC14H34N2O2
Molecular Weight262.44 g/mol
Exact Mass262.26
IUPAC Nameethane;4-(2-piperazin-1-ylethoxy)butan-1-ol
SMILESCC.CC.OCCCCOCCN1CCNCC1
InChIInChI=1S/C10H22N2O2.2C2H6/c13-8-1-2-9-14-10-7-12-5-3-11-4-6-12;2*1-2/h11,13H,1-10H2;2*1-2H3
InChIKeyWEJHREDSJBJPFL-UHFFFAOYSA-N
XLogP1.73
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol?
The IUPAC name of ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol (CID 142367721) is ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol.
What is the SMILES notation for ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol?
The canonical SMILES for ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol is CC.CC.OCCCCOCCN1CCNCC1.
What is the InChIKey of ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol?
The InChIKey is WEJHREDSJBJPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2.2C2H6/c13-8-1-2-9-14-10-7-12-5-3-11-4-6-12;2*1-2/h11,13H,1-10H2;2*1-2H3.
What are the key properties of ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol?
ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol has a molecular weight of 262.44 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol is sourced from PubChem (CID 142367721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).