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

C15H25N3 — CID 64860612

IUPAC5,5-diethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine
SMILESCCC1(CC)CN(Cc2cccnc2)C(C)CN1
InChIInChI=1S/C15H25N3/c1-4-15(5-2)12-18(13(3)9-17-15)11-14-7-6-8-16-10-14/h6-8,10,13,17H,4-5,9,11-12H2,1-3H3
InChIKeyWZXCCOAPJOZBJE-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.43
Rot. Bonds4

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

5,5-diethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine (PubChem CID 64860612) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 5,5-diethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name5,5-diethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine
PubChem CID64860612
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name5,5-diethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine
SMILESCCC1(CC)CN(Cc2cccnc2)C(C)CN1
InChIInChI=1S/C15H25N3/c1-4-15(5-2)12-18(13(3)9-17-15)11-14-7-6-8-16-10-14/h6-8,10,13,17H,4-5,9,11-12H2,1-3H3
InChIKeyWZXCCOAPJOZBJE-UHFFFAOYSA-N
XLogP2.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 5,5-diethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine (CID 64860612) is 5,5-diethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 5,5-diethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 5,5-diethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine is CCC1(CC)CN(Cc2cccnc2)C(C)CN1.
What is the InChIKey of 5,5-diethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine?
The InChIKey is WZXCCOAPJOZBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-15(5-2)12-18(13(3)9-17-15)11-14-7-6-8-16-10-14/h6-8,10,13,17H,4-5,9,11-12H2,1-3H3.
What are the key properties of 5,5-diethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine?
5,5-diethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine has a molecular weight of 247.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 64860612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).