2-tert-butyl-5-ethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine

C17H29N3 — CID 115982506

IUPAC2-tert-butyl-5-ethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine
SMILESCCC1CN(Cc2ncccc2C)C(C(C)(C)C)CN1
InChIInChI=1S/C17H29N3/c1-6-14-11-20(16(10-19-14)17(3,4)5)12-15-13(2)8-7-9-18-15/h7-9,14,16,19H,6,10-12H2,1-5H3
InChIKeyNEXSUHHAZOFNMZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.99
Rot. Bonds3

About 2-tert-butyl-5-ethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine

2-tert-butyl-5-ethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine (PubChem CID 115982506) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-tert-butyl-5-ethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-ethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine
PubChem CID115982506
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-tert-butyl-5-ethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine
SMILESCCC1CN(Cc2ncccc2C)C(C(C)(C)C)CN1
InChIInChI=1S/C17H29N3/c1-6-14-11-20(16(10-19-14)17(3,4)5)12-15-13(2)8-7-9-18-15/h7-9,14,16,19H,6,10-12H2,1-5H3
InChIKeyNEXSUHHAZOFNMZ-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 2-tert-butyl-5-ethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine (CID 115982506) is 2-tert-butyl-5-ethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 2-tert-butyl-5-ethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 2-tert-butyl-5-ethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine is CCC1CN(Cc2ncccc2C)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-5-ethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine?
The InChIKey is NEXSUHHAZOFNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-6-14-11-20(16(10-19-14)17(3,4)5)12-15-13(2)8-7-9-18-15/h7-9,14,16,19H,6,10-12H2,1-5H3.
What are the key properties of 2-tert-butyl-5-ethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine?
2-tert-butyl-5-ethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine has a molecular weight of 275.44 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 115982506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).