1-(2-butylphenyl)piperazine

C14H22N2 — CID 14479835

IUPAC1-(2-butylphenyl)piperazine
SMILESCCCCc1ccccc1N1CCNCC1
InChIInChI=1S/C14H22N2/c1-2-3-6-13-7-4-5-8-14(13)16-11-9-15-10-12-16/h4-5,7-8,15H,2-3,6,9-12H2,1H3
InChIKeyXJZVCNGBKRTGFO-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.44
Rot. Bonds4

About 1-(2-butylphenyl)piperazine

1-(2-butylphenyl)piperazine (PubChem CID 14479835) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(2-butylphenyl)piperazine.

Molecular Properties

Compound Name1-(2-butylphenyl)piperazine
PubChem CID14479835
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(2-butylphenyl)piperazine
SMILESCCCCc1ccccc1N1CCNCC1
InChIInChI=1S/C14H22N2/c1-2-3-6-13-7-4-5-8-14(13)16-11-9-15-10-12-16/h4-5,7-8,15H,2-3,6,9-12H2,1H3
InChIKeyXJZVCNGBKRTGFO-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butylphenyl)piperazine?
The IUPAC name of 1-(2-butylphenyl)piperazine (CID 14479835) is 1-(2-butylphenyl)piperazine.
What is the SMILES notation for 1-(2-butylphenyl)piperazine?
The canonical SMILES for 1-(2-butylphenyl)piperazine is CCCCc1ccccc1N1CCNCC1.
What is the InChIKey of 1-(2-butylphenyl)piperazine?
The InChIKey is XJZVCNGBKRTGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-3-6-13-7-4-5-8-14(13)16-11-9-15-10-12-16/h4-5,7-8,15H,2-3,6,9-12H2,1H3.
What are the key properties of 1-(2-butylphenyl)piperazine?
1-(2-butylphenyl)piperazine has a molecular weight of 218.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butylphenyl)piperazine is sourced from PubChem (CID 14479835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).