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

C17H36N2 — CID 83169228

IUPAC5-tert-butyl-1-(4-methylpentyl)-2-propylpiperazine
SMILESCCCC1CNC(C(C)(C)C)CN1CCCC(C)C
InChIInChI=1S/C17H36N2/c1-7-9-15-12-18-16(17(4,5)6)13-19(15)11-8-10-14(2)3/h14-16,18H,7-13H2,1-6H3
InChIKeyQZXOGNZIVPTBMX-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds6

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

5-tert-butyl-1-(4-methylpentyl)-2-propylpiperazine (PubChem CID 83169228) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 5-tert-butyl-1-(4-methylpentyl)-2-propylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-(4-methylpentyl)-2-propylpiperazine
PubChem CID83169228
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name5-tert-butyl-1-(4-methylpentyl)-2-propylpiperazine
SMILESCCCC1CNC(C(C)(C)C)CN1CCCC(C)C
InChIInChI=1S/C17H36N2/c1-7-9-15-12-18-16(17(4,5)6)13-19(15)11-8-10-14(2)3/h14-16,18H,7-13H2,1-6H3
InChIKeyQZXOGNZIVPTBMX-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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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(4-methylpentyl)-2-propylpiperazine?
The IUPAC name of 5-tert-butyl-1-(4-methylpentyl)-2-propylpiperazine (CID 83169228) is 5-tert-butyl-1-(4-methylpentyl)-2-propylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-(4-methylpentyl)-2-propylpiperazine?
The canonical SMILES for 5-tert-butyl-1-(4-methylpentyl)-2-propylpiperazine is CCCC1CNC(C(C)(C)C)CN1CCCC(C)C.
What is the InChIKey of 5-tert-butyl-1-(4-methylpentyl)-2-propylpiperazine?
The InChIKey is QZXOGNZIVPTBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-9-15-12-18-16(17(4,5)6)13-19(15)11-8-10-14(2)3/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 5-tert-butyl-1-(4-methylpentyl)-2-propylpiperazine?
5-tert-butyl-1-(4-methylpentyl)-2-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 5-tert-butyl-1-(4-methylpentyl)-2-propylpiperazine is sourced from PubChem (CID 83169228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).