butyl 4-piperazin-1-ylbutanoate

C12H24N2O2 — CID 175819494

IUPACbutyl 4-piperazin-1-ylbutanoate
SMILESCCCCOC(=O)CCCN1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-2-3-11-16-12(15)5-4-8-14-9-6-13-7-10-14/h13H,2-11H2,1H3
InChIKeyBYEXQSWWXQVYAZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.02
Rot. Bonds7

About butyl 4-piperazin-1-ylbutanoate

butyl 4-piperazin-1-ylbutanoate (PubChem CID 175819494) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is butyl 4-piperazin-1-ylbutanoate.

Molecular Properties

Compound Namebutyl 4-piperazin-1-ylbutanoate
PubChem CID175819494
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namebutyl 4-piperazin-1-ylbutanoate
SMILESCCCCOC(=O)CCCN1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-2-3-11-16-12(15)5-4-8-14-9-6-13-7-10-14/h13H,2-11H2,1H3
InChIKeyBYEXQSWWXQVYAZ-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 butyl 4-piperazin-1-ylbutanoate?
The IUPAC name of butyl 4-piperazin-1-ylbutanoate (CID 175819494) is butyl 4-piperazin-1-ylbutanoate.
What is the SMILES notation for butyl 4-piperazin-1-ylbutanoate?
The canonical SMILES for butyl 4-piperazin-1-ylbutanoate is CCCCOC(=O)CCCN1CCNCC1.
What is the InChIKey of butyl 4-piperazin-1-ylbutanoate?
The InChIKey is BYEXQSWWXQVYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-3-11-16-12(15)5-4-8-14-9-6-13-7-10-14/h13H,2-11H2,1H3.
What are the key properties of butyl 4-piperazin-1-ylbutanoate?
butyl 4-piperazin-1-ylbutanoate has a molecular weight of 228.34 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-piperazin-1-ylbutanoate is sourced from PubChem (CID 175819494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).