3-butan-2-yl-1-(2-methyloxan-4-yl)piperazine

C14H28N2O — CID 114109431

IUPAC3-butan-2-yl-1-(2-methyloxan-4-yl)piperazine
SMILESCCC(C)C1CN(C2CCOC(C)C2)CCN1
InChIInChI=1S/C14H28N2O/c1-4-11(2)14-10-16(7-6-15-14)13-5-8-17-12(3)9-13/h11-15H,4-10H2,1-3H3
InChIKeyRKEOQGKDAYEXNN-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.87
Rot. Bonds3

About 3-butan-2-yl-1-(2-methyloxan-4-yl)piperazine

3-butan-2-yl-1-(2-methyloxan-4-yl)piperazine (PubChem CID 114109431) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-butan-2-yl-1-(2-methyloxan-4-yl)piperazine.

Molecular Properties

Compound Name3-butan-2-yl-1-(2-methyloxan-4-yl)piperazine
PubChem CID114109431
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-butan-2-yl-1-(2-methyloxan-4-yl)piperazine
SMILESCCC(C)C1CN(C2CCOC(C)C2)CCN1
InChIInChI=1S/C14H28N2O/c1-4-11(2)14-10-16(7-6-15-14)13-5-8-17-12(3)9-13/h11-15H,4-10H2,1-3H3
InChIKeyRKEOQGKDAYEXNN-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(2-methyloxan-4-yl)piperazine?
The IUPAC name of 3-butan-2-yl-1-(2-methyloxan-4-yl)piperazine (CID 114109431) is 3-butan-2-yl-1-(2-methyloxan-4-yl)piperazine.
What is the SMILES notation for 3-butan-2-yl-1-(2-methyloxan-4-yl)piperazine?
The canonical SMILES for 3-butan-2-yl-1-(2-methyloxan-4-yl)piperazine is CCC(C)C1CN(C2CCOC(C)C2)CCN1.
What is the InChIKey of 3-butan-2-yl-1-(2-methyloxan-4-yl)piperazine?
The InChIKey is RKEOQGKDAYEXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-11(2)14-10-16(7-6-15-14)13-5-8-17-12(3)9-13/h11-15H,4-10H2,1-3H3.
What are the key properties of 3-butan-2-yl-1-(2-methyloxan-4-yl)piperazine?
3-butan-2-yl-1-(2-methyloxan-4-yl)piperazine has a molecular weight of 240.39 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(2-methyloxan-4-yl)piperazine is sourced from PubChem (CID 114109431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).