1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]piperazine

C14H30N2O — CID 123480216

IUPAC1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]piperazine
SMILESCCC(C)(C)OCCC(C)(C)N1CCNCC1
InChIInChI=1S/C14H30N2O/c1-6-14(4,5)17-12-7-13(2,3)16-10-8-15-9-11-16/h15H,6-12H2,1-5H3
InChIKeyPDGJTDZEBVRQIF-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.27
Rot. Bonds6

About 1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]piperazine

1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]piperazine (PubChem CID 123480216) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]piperazine
PubChem CID123480216
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]piperazine
SMILESCCC(C)(C)OCCC(C)(C)N1CCNCC1
InChIInChI=1S/C14H30N2O/c1-6-14(4,5)17-12-7-13(2,3)16-10-8-15-9-11-16/h15H,6-12H2,1-5H3
InChIKeyPDGJTDZEBVRQIF-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]piperazine?
The IUPAC name of 1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]piperazine (CID 123480216) is 1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]piperazine.
What is the SMILES notation for 1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]piperazine?
The canonical SMILES for 1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]piperazine is CCC(C)(C)OCCC(C)(C)N1CCNCC1.
What is the InChIKey of 1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]piperazine?
The InChIKey is PDGJTDZEBVRQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-14(4,5)17-12-7-13(2,3)16-10-8-15-9-11-16/h15H,6-12H2,1-5H3.
What are the key properties of 1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]piperazine?
1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]piperazine has a molecular weight of 242.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]piperazine is sourced from PubChem (CID 123480216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).