1-tert-butyl-4-(3-tert-butylphenyl)piperazine

C18H30N2 — CID 66600668

IUPAC1-tert-butyl-4-(3-tert-butylphenyl)piperazine
SMILESCC(C)(C)c1cccc(N2CCN(C(C)(C)C)CC2)c1
InChIInChI=1S/C18H30N2/c1-17(2,3)15-8-7-9-16(14-15)19-10-12-20(13-11-19)18(4,5)6/h7-9,14H,10-13H2,1-6H3
InChIKeyJQSROERMSMDXAT-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.90
Rot. Bonds1

About 1-tert-butyl-4-(3-tert-butylphenyl)piperazine

1-tert-butyl-4-(3-tert-butylphenyl)piperazine (PubChem CID 66600668) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-tert-butylphenyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(3-tert-butylphenyl)piperazine
PubChem CID66600668
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-tert-butyl-4-(3-tert-butylphenyl)piperazine
SMILESCC(C)(C)c1cccc(N2CCN(C(C)(C)C)CC2)c1
InChIInChI=1S/C18H30N2/c1-17(2,3)15-8-7-9-16(14-15)19-10-12-20(13-11-19)18(4,5)6/h7-9,14H,10-13H2,1-6H3
InChIKeyJQSROERMSMDXAT-UHFFFAOYSA-N
XLogP3.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-4-tert-butylpiperazine
CID 68819490
1-tert-butyl-4-(4-tert-butylphenyl)piperazine
CID 59476465
1-[4-(3-tert-butylphenyl)piperazin-1-yl]propan-1-one
CID 118565768
4-(4-tert-butylpiperazin-1-yl)-2-methylphenol
CID 164764153
1-tert-butyl-4-(2-chloro-4-pyridinyl)piperazine
CID 103756521
1-tert-butyl-4-(4-iodophenyl)piperazine
CID 154329607
2-(3-morpholin-4-ylphenyl)propan-2-amine
CID 96607858
3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane
CID 59367733
1-tert-butyl-4-[5-(trifluoromethyl)-3-pyridinyl]piperazine
CID 123756396
1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride
CID 131731751
2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 61075067
2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
CID 24695476

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-tert-butylphenyl)piperazine?
The IUPAC name of 1-tert-butyl-4-(3-tert-butylphenyl)piperazine (CID 66600668) is 1-tert-butyl-4-(3-tert-butylphenyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(3-tert-butylphenyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(3-tert-butylphenyl)piperazine is CC(C)(C)c1cccc(N2CCN(C(C)(C)C)CC2)c1.
What is the InChIKey of 1-tert-butyl-4-(3-tert-butylphenyl)piperazine?
The InChIKey is JQSROERMSMDXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-17(2,3)15-8-7-9-16(14-15)19-10-12-20(13-11-19)18(4,5)6/h7-9,14H,10-13H2,1-6H3.
What are the key properties of 1-tert-butyl-4-(3-tert-butylphenyl)piperazine?
1-tert-butyl-4-(3-tert-butylphenyl)piperazine has a molecular weight of 274.45 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-tert-butylphenyl)piperazine is sourced from PubChem (CID 66600668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).