5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine

C16H27N3 — CID 64842793

IUPAC5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1Cc1ccccn1
InChIInChI=1S/C16H27N3/c1-5-14-10-18-15(16(2,3)4)12-19(14)11-13-8-6-7-9-17-13/h6-9,14-15,18H,5,10-12H2,1-4H3
InChIKeyPQEDIKBRZFDSPZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.68
Rot. Bonds3

About 5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine

5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine (PubChem CID 64842793) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine
PubChem CID64842793
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1Cc1ccccn1
InChIInChI=1S/C16H27N3/c1-5-14-10-18-15(16(2,3)4)12-19(14)11-13-8-6-7-9-17-13/h6-9,14-15,18H,5,10-12H2,1-4H3
InChIKeyPQEDIKBRZFDSPZ-UHFFFAOYSA-N
XLogP2.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64844286
2-[(2-ethylazetidin-1-yl)methyl]pyridine
CID 130678024
2,5-diethyl-1-(2-pyridin-2-ylethyl)piperazine
CID 64933750
5-methyl-2-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64845678
5-tert-butyl-2-ethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 114957732
2,5,5-triethyl-1-(pyridin-2-ylmethyl)piperazine
CID 64861194
5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64842250
5-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propylpiperazine
CID 79263896
5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64848923
5-tert-butyl-1-[(3,4-dimethylphenyl)methyl]-2-ethylpiperazine
CID 64842595
2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64940800
5-tert-butyl-2-ethyl-1-phenylpiperazine
CID 64932615

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine (CID 64842793) is 5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine is CCC1CNC(C(C)(C)C)CN1Cc1ccccn1.
What is the InChIKey of 5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine?
The InChIKey is PQEDIKBRZFDSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-14-10-18-15(16(2,3)4)12-19(14)11-13-8-6-7-9-17-13/h6-9,14-15,18H,5,10-12H2,1-4H3.
What are the key properties of 5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine?
5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine has a molecular weight of 261.41 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 64842793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).