1-butyl-2,5-diethyl-5-methylpiperazine

C13H28N2 — CID 64847702

IUPAC1-butyl-2,5-diethyl-5-methylpiperazine
SMILESCCCCN1CC(C)(CC)NCC1CC
InChIInChI=1S/C13H28N2/c1-5-8-9-15-11-13(4,7-3)14-10-12(15)6-2/h12,14H,5-11H2,1-4H3
InChIKeyPFVYHPHREXCPGZ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.64
Rot. Bonds5

About 1-butyl-2,5-diethyl-5-methylpiperazine

1-butyl-2,5-diethyl-5-methylpiperazine (PubChem CID 64847702) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-butyl-2,5-diethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-butyl-2,5-diethyl-5-methylpiperazine
PubChem CID64847702
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-butyl-2,5-diethyl-5-methylpiperazine
SMILESCCCCN1CC(C)(CC)NCC1CC
InChIInChI=1S/C13H28N2/c1-5-8-9-15-11-13(4,7-3)14-10-12(15)6-2/h12,14H,5-11H2,1-4H3
InChIKeyPFVYHPHREXCPGZ-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-diethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64935969
1-butyl-5-ethyl-2,5-dimethylpiperazine
CID 64849431
2,5-diethyl-1-(2-ethylhexyl)-5-methylpiperazine
CID 64849443
2,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methylpiperazine
CID 104567913
2,5-diethyl-1-[(1-ethylcyclopropyl)methyl]-5-methylpiperazine
CID 114102157
2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine
CID 64933219
2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine
CID 64946947
5-ethyl-5-methyl-1-(3-phenylpropyl)-2-propylpiperazine
CID 64849061
5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine
CID 64876529
1-benzyl-2,5-diethyl-5-methylpiperazine
CID 64849828
2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine
CID 64847163
5-ethyl-5-methyl-2-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine
CID 115518989

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,5-diethyl-5-methylpiperazine?
The IUPAC name of 1-butyl-2,5-diethyl-5-methylpiperazine (CID 64847702) is 1-butyl-2,5-diethyl-5-methylpiperazine.
What is the SMILES notation for 1-butyl-2,5-diethyl-5-methylpiperazine?
The canonical SMILES for 1-butyl-2,5-diethyl-5-methylpiperazine is CCCCN1CC(C)(CC)NCC1CC.
What is the InChIKey of 1-butyl-2,5-diethyl-5-methylpiperazine?
The InChIKey is PFVYHPHREXCPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-8-9-15-11-13(4,7-3)14-10-12(15)6-2/h12,14H,5-11H2,1-4H3.
What are the key properties of 1-butyl-2,5-diethyl-5-methylpiperazine?
1-butyl-2,5-diethyl-5-methylpiperazine has a molecular weight of 212.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,5-diethyl-5-methylpiperazine is sourced from PubChem (CID 64847702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).