1-(2-methylbutan-2-yl)-4-(6-methyl-3-pyridinyl)piperazine

C15H25N3 — CID 155260618

IUPAC1-(2-methylbutan-2-yl)-4-(6-methyl-3-pyridinyl)piperazine
SMILESCCC(C)(C)N1CCN(c2ccc(C)nc2)CC1
InChIInChI=1S/C15H25N3/c1-5-15(3,4)18-10-8-17(9-11-18)14-7-6-13(2)16-12-14/h6-7,12H,5,8-11H2,1-4H3
InChIKeyCFANODHWBGDZNN-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.70
Rot. Bonds3

About 1-(2-methylbutan-2-yl)-4-(6-methyl-3-pyridinyl)piperazine

1-(2-methylbutan-2-yl)-4-(6-methyl-3-pyridinyl)piperazine (PubChem CID 155260618) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-4-(6-methyl-3-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-4-(6-methyl-3-pyridinyl)piperazine
PubChem CID155260618
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-(2-methylbutan-2-yl)-4-(6-methyl-3-pyridinyl)piperazine
SMILESCCC(C)(C)N1CCN(c2ccc(C)nc2)CC1
InChIInChI=1S/C15H25N3/c1-5-15(3,4)18-10-8-17(9-11-18)14-7-6-13(2)16-12-14/h6-7,12H,5,8-11H2,1-4H3
InChIKeyCFANODHWBGDZNN-UHFFFAOYSA-N
XLogP2.70
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)-4-(6-methyl-3-pyridinyl)piperazine?
The IUPAC name of 1-(2-methylbutan-2-yl)-4-(6-methyl-3-pyridinyl)piperazine (CID 155260618) is 1-(2-methylbutan-2-yl)-4-(6-methyl-3-pyridinyl)piperazine.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-4-(6-methyl-3-pyridinyl)piperazine?
The canonical SMILES for 1-(2-methylbutan-2-yl)-4-(6-methyl-3-pyridinyl)piperazine is CCC(C)(C)N1CCN(c2ccc(C)nc2)CC1.
What is the InChIKey of 1-(2-methylbutan-2-yl)-4-(6-methyl-3-pyridinyl)piperazine?
The InChIKey is CFANODHWBGDZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-15(3,4)18-10-8-17(9-11-18)14-7-6-13(2)16-12-14/h6-7,12H,5,8-11H2,1-4H3.
What are the key properties of 1-(2-methylbutan-2-yl)-4-(6-methyl-3-pyridinyl)piperazine?
1-(2-methylbutan-2-yl)-4-(6-methyl-3-pyridinyl)piperazine has a molecular weight of 247.39 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-4-(6-methyl-3-pyridinyl)piperazine is sourced from PubChem (CID 155260618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).