2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine

C18H31N3 — CID 64850168

IUPAC2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine
SMILESCCC(C)C1CN(Cc2ccncc2)C(C(C)CC)CN1
InChIInChI=1S/C18H31N3/c1-5-14(3)17-13-21(12-16-7-9-19-10-8-16)18(11-20-17)15(4)6-2/h7-10,14-15,17-18,20H,5-6,11-13H2,1-4H3
InChIKeyLSACGQMARDBVPZ-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.32
Rot. Bonds6

About 2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine

2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine (PubChem CID 64850168) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine
PubChem CID64850168
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine
SMILESCCC(C)C1CN(Cc2ccncc2)C(C(C)CC)CN1
InChIInChI=1S/C18H31N3/c1-5-14(3)17-13-21(12-16-7-9-19-10-8-16)18(11-20-17)15(4)6-2/h7-10,14-15,17-18,20H,5-6,11-13H2,1-4H3
InChIKeyLSACGQMARDBVPZ-UHFFFAOYSA-N
XLogP3.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64850164
5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64847262
3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64831721
5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64848063
1-benzyl-2-butan-2-yl-5-methylpiperazine
CID 64845112
2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine
CID 64840780
1-benzyl-5-butan-2-yl-2-phenylpiperazine
CID 64849792
5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64848030
1-[(3-bromothiophen-2-yl)methyl]-2,5-di(butan-2-yl)piperazine
CID 64848042
5-butan-2-yl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine
CID 64939246
1,5-dibenzyl-2-butan-2-ylpiperazine
CID 64850133
1-benzyl-2-butan-2-yl-5-phenylpiperazine
CID 64877463

Frequently Asked Questions

What is the IUPAC name of 2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine (CID 64850168) is 2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine is CCC(C)C1CN(Cc2ccncc2)C(C(C)CC)CN1.
What is the InChIKey of 2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine?
The InChIKey is LSACGQMARDBVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-14(3)17-13-21(12-16-7-9-19-10-8-16)18(11-20-17)15(4)6-2/h7-10,14-15,17-18,20H,5-6,11-13H2,1-4H3.
What are the key properties of 2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine?
2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine has a molecular weight of 289.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 64850168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).