1-(4-butylphenyl)-3,3-diethylpiperazine

C18H30N2 — CID 64923865

IUPAC1-(4-butylphenyl)-3,3-diethylpiperazine
SMILESCCCCc1ccc(N2CCNC(CC)(CC)C2)cc1
InChIInChI=1S/C18H30N2/c1-4-7-8-16-9-11-17(12-10-16)20-14-13-19-18(5-2,6-3)15-20/h9-12,19H,4-8,13-15H2,1-3H3
InChIKeyXRZMEHYGSCQPFH-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.00
Rot. Bonds6

About 1-(4-butylphenyl)-3,3-diethylpiperazine

1-(4-butylphenyl)-3,3-diethylpiperazine (PubChem CID 64923865) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3,3-diethylpiperazine.

Molecular Properties

Compound Name1-(4-butylphenyl)-3,3-diethylpiperazine
PubChem CID64923865
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(4-butylphenyl)-3,3-diethylpiperazine
SMILESCCCCc1ccc(N2CCNC(CC)(CC)C2)cc1
InChIInChI=1S/C18H30N2/c1-4-7-8-16-9-11-17(12-10-16)20-14-13-19-18(5-2,6-3)15-20/h9-12,19H,4-8,13-15H2,1-3H3
InChIKeyXRZMEHYGSCQPFH-UHFFFAOYSA-N
XLogP4.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3,3-diethylpiperazine?
The IUPAC name of 1-(4-butylphenyl)-3,3-diethylpiperazine (CID 64923865) is 1-(4-butylphenyl)-3,3-diethylpiperazine.
What is the SMILES notation for 1-(4-butylphenyl)-3,3-diethylpiperazine?
The canonical SMILES for 1-(4-butylphenyl)-3,3-diethylpiperazine is CCCCc1ccc(N2CCNC(CC)(CC)C2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3,3-diethylpiperazine?
The InChIKey is XRZMEHYGSCQPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-7-8-16-9-11-17(12-10-16)20-14-13-19-18(5-2,6-3)15-20/h9-12,19H,4-8,13-15H2,1-3H3.
What are the key properties of 1-(4-butylphenyl)-3,3-diethylpiperazine?
1-(4-butylphenyl)-3,3-diethylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3,3-diethylpiperazine is sourced from PubChem (CID 64923865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).