1-(2-butoxyphenyl)piperazine

C14H22N2O — CID 14479837

IUPAC1-(2-butoxyphenyl)piperazine
SMILESCCCCOc1ccccc1N1CCNCC1
InChIInChI=1S/C14H22N2O/c1-2-3-12-17-14-7-5-4-6-13(14)16-10-8-15-9-11-16/h4-7,15H,2-3,8-12H2,1H3
InChIKeyYNPHKRWUIFAKLL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.28
Rot. Bonds5

About 1-(2-butoxyphenyl)piperazine

1-(2-butoxyphenyl)piperazine (PubChem CID 14479837) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2-butoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(2-butoxyphenyl)piperazine
PubChem CID14479837
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(2-butoxyphenyl)piperazine
SMILESCCCCOc1ccccc1N1CCNCC1
InChIInChI=1S/C14H22N2O/c1-2-3-12-17-14-7-5-4-6-13(14)16-10-8-15-9-11-16/h4-7,15H,2-3,8-12H2,1H3
InChIKeyYNPHKRWUIFAKLL-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.28
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 1-(2-butoxyphenyl)piperazine?
The IUPAC name of 1-(2-butoxyphenyl)piperazine (CID 14479837) is 1-(2-butoxyphenyl)piperazine.
What is the SMILES notation for 1-(2-butoxyphenyl)piperazine?
The canonical SMILES for 1-(2-butoxyphenyl)piperazine is CCCCOc1ccccc1N1CCNCC1.
What is the InChIKey of 1-(2-butoxyphenyl)piperazine?
The InChIKey is YNPHKRWUIFAKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-3-12-17-14-7-5-4-6-13(14)16-10-8-15-9-11-16/h4-7,15H,2-3,8-12H2,1H3.
What are the key properties of 1-(2-butoxyphenyl)piperazine?
1-(2-butoxyphenyl)piperazine has a molecular weight of 234.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyphenyl)piperazine is sourced from PubChem (CID 14479837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).