2,5,5-triethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine

C17H29N3 — CID 64947930

IUPAC2,5,5-triethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
SMILESCCC1CNC(CC)(CC)CN1Cc1cccc(C)n1
InChIInChI=1S/C17H29N3/c1-5-16-11-18-17(6-2,7-3)13-20(16)12-15-10-8-9-14(4)19-15/h8-10,16,18H,5-7,11-13H2,1-4H3
InChIKeyQXJXELKOBNZRLR-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.13
Rot. Bonds5

About 2,5,5-triethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine

2,5,5-triethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine (PubChem CID 64947930) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2,5,5-triethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name2,5,5-triethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
PubChem CID64947930
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2,5,5-triethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
SMILESCCC1CNC(CC)(CC)CN1Cc1cccc(C)n1
InChIInChI=1S/C17H29N3/c1-5-16-11-18-17(6-2,7-3)13-20(16)12-15-10-8-9-14(4)19-15/h8-10,16,18H,5-7,11-13H2,1-4H3
InChIKeyQXJXELKOBNZRLR-UHFFFAOYSA-N
XLogP3.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Imisopasem Manganese
CID 10195666
Piperazine, 2-pyridylethyl-
CID 566605
1-Pyridin-2-ylmethyl-piperazine hydrochloride
CID 24761072
1-(1-Phenyl-2-(pyridin-2-yl)ethyl)piperazine
CID 44414862
AMD-3329 free base
CID 477104
rac-N1-(1-(4-Methylpyridin-2-yl)ethyl)-N1-(3-methylpyridin-2-yl)methyl)butane-1,4-diamine
CID 53324136
2-ethyl-N-[[6-[(2-ethylanilino)methyl]-2-pyridinyl]methyl]aniline
CID 132578412
4-ethyl-N-[[6-[(4-ethylanilino)methyl]-2-pyridinyl]methyl]aniline
CID 132578413
N-(2-Pyridylmethyl)piperazine-1-ethylamine
CID 81406
Avasopasem Manganese
CID 23649345
Methyl(6-methyl-2-pyridylmethyl)amine
CID 81438
(6-Methylpyridin-2-yl)methanamine
CID 246721

Frequently Asked Questions

What is the IUPAC name of 2,5,5-triethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 2,5,5-triethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine (CID 64947930) is 2,5,5-triethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 2,5,5-triethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 2,5,5-triethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine is CCC1CNC(CC)(CC)CN1Cc1cccc(C)n1.
What is the InChIKey of 2,5,5-triethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The InChIKey is QXJXELKOBNZRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-16-11-18-17(6-2,7-3)13-20(16)12-15-10-8-9-14(4)19-15/h8-10,16,18H,5-7,11-13H2,1-4H3.
What are the key properties of 2,5,5-triethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine?
2,5,5-triethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine has a molecular weight of 275.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-triethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 64947930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).