1-benzyl-4-tert-butylpiperazine

C15H24N2 — CID 3591937

IUPAC1-benzyl-4-tert-butylpiperazine
SMILESCC(C)(C)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2/c1-15(2,3)17-11-9-16(10-12-17)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChIKeyNGFMWJQBLQMURA-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.60
Rot. Bonds2

About 1-benzyl-4-tert-butylpiperazine

1-benzyl-4-tert-butylpiperazine (PubChem CID 3591937) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-benzyl-4-tert-butylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-tert-butylpiperazine
PubChem CID3591937
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-benzyl-4-tert-butylpiperazine
SMILESCC(C)(C)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2/c1-15(2,3)17-11-9-16(10-12-17)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChIKeyNGFMWJQBLQMURA-UHFFFAOYSA-N
XLogP2.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzylpiperidin-4-yl)-4-tert-butylpiperazine
CID 68898535
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-tert-butyl-4-[[4-(chloromethyl)phenyl]methyl]piperazine
CID 67328022
4-[(4-tert-butylpiperazin-1-yl)methyl]benzoic acid
CID 61432695
1-tert-butyl-4-(2-phenylethyl)piperazine
CID 21132134
1-[4-[(4-tert-butylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62463358
2-(4-benzylpiperazin-1-yl)-N,N,2-trimethylpropanamide
CID 22314816
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-tert-butyl-4-(furan-3-ylmethyl)piperazine
CID 159431968
1-benzyl-4-(2-tert-butylsulfanylethyl)piperazine;ethane
CID 90692795
2-[(4-tert-butylpiperazin-1-yl)methyl]aniline
CID 61430149
1-benzyl-4-methylpiperazine;methanamine
CID 174694163

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-tert-butylpiperazine?
The IUPAC name of 1-benzyl-4-tert-butylpiperazine (CID 3591937) is 1-benzyl-4-tert-butylpiperazine.
What is the SMILES notation for 1-benzyl-4-tert-butylpiperazine?
The canonical SMILES for 1-benzyl-4-tert-butylpiperazine is CC(C)(C)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-tert-butylpiperazine?
The InChIKey is NGFMWJQBLQMURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-15(2,3)17-11-9-16(10-12-17)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3.
What are the key properties of 1-benzyl-4-tert-butylpiperazine?
1-benzyl-4-tert-butylpiperazine has a molecular weight of 232.37 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-tert-butylpiperazine is sourced from PubChem (CID 3591937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).