5-butan-2-yl-2-methyl-1-(pyridin-2-ylmethyl)piperazine

C15H25N3 — CID 64847638

IUPAC5-butan-2-yl-2-methyl-1-(pyridin-2-ylmethyl)piperazine
SMILESCCC(C)C1CN(Cc2ccccn2)C(C)CN1
InChIInChI=1S/C15H25N3/c1-4-12(2)15-11-18(13(3)9-17-15)10-14-7-5-6-8-16-14/h5-8,12-13,15,17H,4,9-11H2,1-3H3
InChIKeyQSKGONUNLWPNGQ-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.29
Rot. Bonds4

About 5-butan-2-yl-2-methyl-1-(pyridin-2-ylmethyl)piperazine

5-butan-2-yl-2-methyl-1-(pyridin-2-ylmethyl)piperazine (PubChem CID 64847638) 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-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-1-(pyridin-2-ylmethyl)piperazine
PubChem CID64847638
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name5-butan-2-yl-2-methyl-1-(pyridin-2-ylmethyl)piperazine
SMILESCCC(C)C1CN(Cc2ccccn2)C(C)CN1
InChIInChI=1S/C15H25N3/c1-4-12(2)15-11-18(13(3)9-17-15)10-14-7-5-6-8-16-14/h5-8,12-13,15,17H,4,9-11H2,1-3H3
InChIKeyQSKGONUNLWPNGQ-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]pyrimidine
CID 114112242
2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine
CID 64936642
5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine
CID 105410061
5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64847641
2-ethyl-5-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64844286
(2R)-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 67972243
2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine
CID 64849982
5-butan-2-yl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine
CID 64939246
5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64847262
5-methyl-2-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64845678
2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine
CID 64850168
1-benzyl-5-butan-2-yl-2-phenylpiperazine
CID 64849792

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-1-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-methyl-1-(pyridin-2-ylmethyl)piperazine (CID 64847638) is 5-butan-2-yl-2-methyl-1-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-methyl-1-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-methyl-1-(pyridin-2-ylmethyl)piperazine is CCC(C)C1CN(Cc2ccccn2)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-2-methyl-1-(pyridin-2-ylmethyl)piperazine?
The InChIKey is QSKGONUNLWPNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-12(2)15-11-18(13(3)9-17-15)10-14-7-5-6-8-16-14/h5-8,12-13,15,17H,4,9-11H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-methyl-1-(pyridin-2-ylmethyl)piperazine?
5-butan-2-yl-2-methyl-1-(pyridin-2-ylmethyl)piperazine has a molecular weight of 247.39 g/mol, XLogP of 2.29, 4 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-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 64847638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).