1-(4-tert-butylphenyl)piperazine

C14H22N2 — CID 781722

IUPAC1-(4-tert-butylphenyl)piperazine
SMILESCC(C)(C)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C14H22N2/c1-14(2,3)12-4-6-13(7-5-12)16-10-8-15-9-11-16/h4-7,15H,8-11H2,1-3H3
InChIKeyORDMNUOREWSOKN-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.39
Rot. Bonds1

About 1-(4-tert-butylphenyl)piperazine

1-(4-tert-butylphenyl)piperazine (PubChem CID 781722) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)piperazine
PubChem CID781722
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(4-tert-butylphenyl)piperazine
SMILESCC(C)(C)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C14H22N2/c1-14(2,3)12-4-6-13(7-5-12)16-10-8-15-9-11-16/h4-7,15H,8-11H2,1-3H3
InChIKeyORDMNUOREWSOKN-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)piperazine?
The IUPAC name of 1-(4-tert-butylphenyl)piperazine (CID 781722) is 1-(4-tert-butylphenyl)piperazine.
What is the SMILES notation for 1-(4-tert-butylphenyl)piperazine?
The canonical SMILES for 1-(4-tert-butylphenyl)piperazine is CC(C)(C)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)piperazine?
The InChIKey is ORDMNUOREWSOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-14(2,3)12-4-6-13(7-5-12)16-10-8-15-9-11-16/h4-7,15H,8-11H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)piperazine?
1-(4-tert-butylphenyl)piperazine has a molecular weight of 218.34 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)piperazine is sourced from PubChem (CID 781722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).