2-tert-butyl-5-cyclohexyl-1-(2-methylpropyl)piperazine

C18H36N2 — CID 64859818

IUPAC2-tert-butyl-5-cyclohexyl-1-(2-methylpropyl)piperazine
SMILESCC(C)CN1CC(C2CCCCC2)NCC1C(C)(C)C
InChIInChI=1S/C18H36N2/c1-14(2)12-20-13-16(15-9-7-6-8-10-15)19-11-17(20)18(3,4)5/h14-17,19H,6-13H2,1-5H3
InChIKeyZFZAUDUZTQGTRN-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds3

About 2-tert-butyl-5-cyclohexyl-1-(2-methylpropyl)piperazine

2-tert-butyl-5-cyclohexyl-1-(2-methylpropyl)piperazine (PubChem CID 64859818) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-tert-butyl-5-cyclohexyl-1-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-cyclohexyl-1-(2-methylpropyl)piperazine
PubChem CID64859818
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-tert-butyl-5-cyclohexyl-1-(2-methylpropyl)piperazine
SMILESCC(C)CN1CC(C2CCCCC2)NCC1C(C)(C)C
InChIInChI=1S/C18H36N2/c1-14(2)12-20-13-16(15-9-7-6-8-10-15)19-11-17(20)18(3,4)5/h14-17,19H,6-13H2,1-5H3
InChIKeyZFZAUDUZTQGTRN-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-2-tert-butyl-5-cyclohexylpiperazine
CID 64859625
5-cyclohexyl-1,2-bis(2-methylpropyl)piperazine
CID 64861705
2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64844981
5-tert-butyl-2-cyclohexyl-1-(2-methylpropyl)piperazine
CID 64842807
2-tert-butyl-1-(2-methylpropyl)-5-propylpiperazine
CID 64839180
1-butyl-2-tert-butyl-5-cyclopropylpiperazine
CID 64861474
5-cyclohexyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64859620
5-cyclohexyl-2-methyl-1-(2-methylpentyl)piperazine
CID 64860363
5-cyclohexyl-2-propan-2-yl-1-propylpiperazine
CID 64861326
1-tert-butyl-5-cyclohexyl-2-propan-2-ylpiperazine
CID 64931346
5-cyclohexyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64860745
5-cyclohexyl-1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine
CID 107901858

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-cyclohexyl-1-(2-methylpropyl)piperazine?
The IUPAC name of 2-tert-butyl-5-cyclohexyl-1-(2-methylpropyl)piperazine (CID 64859818) is 2-tert-butyl-5-cyclohexyl-1-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-tert-butyl-5-cyclohexyl-1-(2-methylpropyl)piperazine?
The canonical SMILES for 2-tert-butyl-5-cyclohexyl-1-(2-methylpropyl)piperazine is CC(C)CN1CC(C2CCCCC2)NCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-cyclohexyl-1-(2-methylpropyl)piperazine?
The InChIKey is ZFZAUDUZTQGTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-14(2)12-20-13-16(15-9-7-6-8-10-15)19-11-17(20)18(3,4)5/h14-17,19H,6-13H2,1-5H3.
What are the key properties of 2-tert-butyl-5-cyclohexyl-1-(2-methylpropyl)piperazine?
2-tert-butyl-5-cyclohexyl-1-(2-methylpropyl)piperazine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-cyclohexyl-1-(2-methylpropyl)piperazine is sourced from PubChem (CID 64859818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).