5-butan-2-yl-2-methyl-1-(5-methyl-3-pyridinyl)piperazine

C15H25N3 — CID 107586926

IUPAC5-butan-2-yl-2-methyl-1-(5-methyl-3-pyridinyl)piperazine
SMILESCCC(C)C1CN(c2cncc(C)c2)C(C)CN1
InChIInChI=1S/C15H25N3/c1-5-12(3)15-10-18(13(4)8-17-15)14-6-11(2)7-16-9-14/h6-7,9,12-13,15,17H,5,8,10H2,1-4H3
InChIKeyZUNOAARBRWLNFD-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.60
Rot. Bonds3

About 5-butan-2-yl-2-methyl-1-(5-methyl-3-pyridinyl)piperazine

5-butan-2-yl-2-methyl-1-(5-methyl-3-pyridinyl)piperazine (PubChem CID 107586926) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-1-(5-methyl-3-pyridinyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-1-(5-methyl-3-pyridinyl)piperazine
PubChem CID107586926
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name5-butan-2-yl-2-methyl-1-(5-methyl-3-pyridinyl)piperazine
SMILESCCC(C)C1CN(c2cncc(C)c2)C(C)CN1
InChIInChI=1S/C15H25N3/c1-5-12(3)15-10-18(13(4)8-17-15)14-6-11(2)7-16-9-14/h6-7,9,12-13,15,17H,5,8,10H2,1-4H3
InChIKeyZUNOAARBRWLNFD-UHFFFAOYSA-N
XLogP2.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine
CID 64936737
5-butan-2-yl-1-[4-(difluoromethoxy)phenyl]-2-methylpiperazine
CID 64938260
5-methyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine
CID 107586964
5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine
CID 64939257
5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine
CID 64953705
1-(5-bromo-4-fluoro-2-methylphenyl)-5-butan-2-yl-2-methylpiperazine
CID 107594278
5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine
CID 64952069
2,5-diethyl-1-(5-methyl-3-pyridinyl)piperazine
CID 107586938
5-butan-2-yl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine
CID 64939246
2-methyl-1-(3-methylphenyl)-5-propan-2-ylpiperazine
CID 64952301
2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine
CID 64936642
2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline
CID 106760888

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-1-(5-methyl-3-pyridinyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-methyl-1-(5-methyl-3-pyridinyl)piperazine (CID 107586926) is 5-butan-2-yl-2-methyl-1-(5-methyl-3-pyridinyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-methyl-1-(5-methyl-3-pyridinyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-methyl-1-(5-methyl-3-pyridinyl)piperazine is CCC(C)C1CN(c2cncc(C)c2)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-2-methyl-1-(5-methyl-3-pyridinyl)piperazine?
The InChIKey is ZUNOAARBRWLNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-12(3)15-10-18(13(4)8-17-15)14-6-11(2)7-16-9-14/h6-7,9,12-13,15,17H,5,8,10H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-methyl-1-(5-methyl-3-pyridinyl)piperazine?
5-butan-2-yl-2-methyl-1-(5-methyl-3-pyridinyl)piperazine has a molecular weight of 247.39 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-methyl-1-(5-methyl-3-pyridinyl)piperazine is sourced from PubChem (CID 107586926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).