1-(6-butyl-2-pyridinyl)piperazine

C13H21N3 — CID 14570955

IUPAC1-(6-butyl-2-pyridinyl)piperazine
SMILESCCCCc1cccc(N2CCNCC2)n1
InChIInChI=1S/C13H21N3/c1-2-3-5-12-6-4-7-13(15-12)16-10-8-14-9-11-16/h4,6-7,14H,2-3,5,8-11H2,1H3
InChIKeyVAXLKFNPIKKHGL-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.83
Rot. Bonds4

About 1-(6-butyl-2-pyridinyl)piperazine

1-(6-butyl-2-pyridinyl)piperazine (PubChem CID 14570955) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(6-butyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(6-butyl-2-pyridinyl)piperazine
PubChem CID14570955
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(6-butyl-2-pyridinyl)piperazine
SMILESCCCCc1cccc(N2CCNCC2)n1
InChIInChI=1S/C13H21N3/c1-2-3-5-12-6-4-7-13(15-12)16-10-8-14-9-11-16/h4,6-7,14H,2-3,5,8-11H2,1H3
InChIKeyVAXLKFNPIKKHGL-UHFFFAOYSA-N
XLogP1.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-butyl-2-pyridinyl)piperazine?
The IUPAC name of 1-(6-butyl-2-pyridinyl)piperazine (CID 14570955) is 1-(6-butyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(6-butyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-(6-butyl-2-pyridinyl)piperazine is CCCCc1cccc(N2CCNCC2)n1.
What is the InChIKey of 1-(6-butyl-2-pyridinyl)piperazine?
The InChIKey is VAXLKFNPIKKHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-3-5-12-6-4-7-13(15-12)16-10-8-14-9-11-16/h4,6-7,14H,2-3,5,8-11H2,1H3.
What are the key properties of 1-(6-butyl-2-pyridinyl)piperazine?
1-(6-butyl-2-pyridinyl)piperazine has a molecular weight of 219.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-butyl-2-pyridinyl)piperazine is sourced from PubChem (CID 14570955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).