2,5-diethyl-1-(5-methyl-3-pyridinyl)piperazine

C14H23N3 — CID 107586938

IUPAC2,5-diethyl-1-(5-methyl-3-pyridinyl)piperazine
SMILESCCC1CN(c2cncc(C)c2)C(CC)CN1
InChIInChI=1S/C14H23N3/c1-4-12-10-17(13(5-2)9-16-12)14-6-11(3)7-15-8-14/h6-8,12-13,16H,4-5,9-10H2,1-3H3
InChIKeyQNQHPBJGVVJGDO-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.36
Rot. Bonds3

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

2,5-diethyl-1-(5-methyl-3-pyridinyl)piperazine (PubChem CID 107586938) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2,5-diethyl-1-(5-methyl-3-pyridinyl)piperazine.

Molecular Properties

Compound Name2,5-diethyl-1-(5-methyl-3-pyridinyl)piperazine
PubChem CID107586938
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2,5-diethyl-1-(5-methyl-3-pyridinyl)piperazine
SMILESCCC1CN(c2cncc(C)c2)C(CC)CN1
InChIInChI=1S/C14H23N3/c1-4-12-10-17(13(5-2)9-16-12)14-6-11(3)7-15-8-14/h6-8,12-13,16H,4-5,9-10H2,1-3H3
InChIKeyQNQHPBJGVVJGDO-UHFFFAOYSA-N
XLogP2.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-(5-methyl-3-pyridinyl)piperazine?
The IUPAC name of 2,5-diethyl-1-(5-methyl-3-pyridinyl)piperazine (CID 107586938) is 2,5-diethyl-1-(5-methyl-3-pyridinyl)piperazine.
What is the SMILES notation for 2,5-diethyl-1-(5-methyl-3-pyridinyl)piperazine?
The canonical SMILES for 2,5-diethyl-1-(5-methyl-3-pyridinyl)piperazine is CCC1CN(c2cncc(C)c2)C(CC)CN1.
What is the InChIKey of 2,5-diethyl-1-(5-methyl-3-pyridinyl)piperazine?
The InChIKey is QNQHPBJGVVJGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-12-10-17(13(5-2)9-16-12)14-6-11(3)7-15-8-14/h6-8,12-13,16H,4-5,9-10H2,1-3H3.
What are the key properties of 2,5-diethyl-1-(5-methyl-3-pyridinyl)piperazine?
2,5-diethyl-1-(5-methyl-3-pyridinyl)piperazine has a molecular weight of 233.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-(5-methyl-3-pyridinyl)piperazine is sourced from PubChem (CID 107586938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).