5-tert-butyl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine

C18H31N3 — CID 64843393

IUPAC5-tert-butyl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine
SMILESCCC1(CC)CNC(C(C)(C)C)CN1Cc1cccnc1
InChIInChI=1S/C18H31N3/c1-6-18(7-2)14-20-16(17(3,4)5)13-21(18)12-15-9-8-10-19-11-15/h8-11,16,20H,6-7,12-14H2,1-5H3
InChIKeyGUHWQUKLIOMODH-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.46
Rot. Bonds4

About 5-tert-butyl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine

5-tert-butyl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine (PubChem CID 64843393) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 5-tert-butyl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine
PubChem CID64843393
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name5-tert-butyl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine
SMILESCCC1(CC)CNC(C(C)(C)C)CN1Cc1cccnc1
InChIInChI=1S/C18H31N3/c1-6-18(7-2)14-20-16(17(3,4)5)13-21(18)12-15-9-8-10-19-11-15/h8-11,16,20H,6-7,12-14H2,1-5H3
InChIKeyGUHWQUKLIOMODH-UHFFFAOYSA-N
XLogP3.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 5-tert-butyl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine (CID 64843393) is 5-tert-butyl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 5-tert-butyl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine is CCC1(CC)CNC(C(C)(C)C)CN1Cc1cccnc1.
What is the InChIKey of 5-tert-butyl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine?
The InChIKey is GUHWQUKLIOMODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-6-18(7-2)14-20-16(17(3,4)5)13-21(18)12-15-9-8-10-19-11-15/h8-11,16,20H,6-7,12-14H2,1-5H3.
What are the key properties of 5-tert-butyl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine?
5-tert-butyl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine has a molecular weight of 289.47 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 64843393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).