2-tert-butyl-1-(4-methylpentyl)-5-propylpiperazine

C17H36N2 — CID 83169601

IUPAC2-tert-butyl-1-(4-methylpentyl)-5-propylpiperazine
SMILESCCCC1CN(CCCC(C)C)C(C(C)(C)C)CN1
InChIInChI=1S/C17H36N2/c1-7-9-15-13-19(11-8-10-14(2)3)16(12-18-15)17(4,5)6/h14-16,18H,7-13H2,1-6H3
InChIKeyWJFZKKIGMIEHJN-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds6

About 2-tert-butyl-1-(4-methylpentyl)-5-propylpiperazine

2-tert-butyl-1-(4-methylpentyl)-5-propylpiperazine (PubChem CID 83169601) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-tert-butyl-1-(4-methylpentyl)-5-propylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-(4-methylpentyl)-5-propylpiperazine
PubChem CID83169601
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-tert-butyl-1-(4-methylpentyl)-5-propylpiperazine
SMILESCCCC1CN(CCCC(C)C)C(C(C)(C)C)CN1
InChIInChI=1S/C17H36N2/c1-7-9-15-13-19(11-8-10-14(2)3)16(12-18-15)17(4,5)6/h14-16,18H,7-13H2,1-6H3
InChIKeyWJFZKKIGMIEHJN-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-1-(2-methylpropyl)-5-propylpiperazine
CID 64839180
2-tert-butyl-1-(2-propan-2-yloxyethyl)-5-propylpiperazine
CID 64838014
2-tert-butyl-5-(2-methylpropyl)-1-propylpiperazine
CID 64849135
2-tert-butyl-1-(cyclopropylmethyl)-5-propylpiperazine
CID 64838594
5-tert-butyl-1-(4-methylpentyl)-2-propylpiperazine
CID 83169228
2-cyclohexyl-1-(4-methylpentyl)-5-propylpiperazine
CID 83148151
2-tert-butyl-1-(3-methylbut-2-enyl)-5-propylpiperazine
CID 114014077
2-tert-butyl-1-(3-ethoxypropyl)-5-(2-methylpropyl)piperazine
CID 65178297
2-tert-butyl-5-ethyl-1-(2-methylpentyl)piperazine
CID 64841762
2-tert-butyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine
CID 64850100
2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine
CID 103016292
2-(2-methylpropyl)-1-pentyl-5-propylpiperazine
CID 64839965

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(4-methylpentyl)-5-propylpiperazine?
The IUPAC name of 2-tert-butyl-1-(4-methylpentyl)-5-propylpiperazine (CID 83169601) is 2-tert-butyl-1-(4-methylpentyl)-5-propylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-(4-methylpentyl)-5-propylpiperazine?
The canonical SMILES for 2-tert-butyl-1-(4-methylpentyl)-5-propylpiperazine is CCCC1CN(CCCC(C)C)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-1-(4-methylpentyl)-5-propylpiperazine?
The InChIKey is WJFZKKIGMIEHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-9-15-13-19(11-8-10-14(2)3)16(12-18-15)17(4,5)6/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 2-tert-butyl-1-(4-methylpentyl)-5-propylpiperazine?
2-tert-butyl-1-(4-methylpentyl)-5-propylpiperazine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(4-methylpentyl)-5-propylpiperazine is sourced from PubChem (CID 83169601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).