ethane;1-(4-methyl-3-prop-1-en-2-ylphenyl)piperazine

C16H26N2 — CID 155722084

IUPACethane;1-(4-methyl-3-prop-1-en-2-ylphenyl)piperazine
SMILESC=C(C)c1cc(N2CCNCC2)ccc1C.CC
InChIInChI=1S/C14H20N2.C2H6/c1-11(2)14-10-13(5-4-12(14)3)16-8-6-15-7-9-16;1-2/h4-5,10,15H,1,6-9H2,2-3H3;1-2H3
InChIKeyOXIRGNUBCWFXTK-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.46
Rot. Bonds2

About ethane;1-(4-methyl-3-prop-1-en-2-ylphenyl)piperazine

ethane;1-(4-methyl-3-prop-1-en-2-ylphenyl)piperazine (PubChem CID 155722084) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is ethane;1-(4-methyl-3-prop-1-en-2-ylphenyl)piperazine.

Molecular Properties

Compound Nameethane;1-(4-methyl-3-prop-1-en-2-ylphenyl)piperazine
PubChem CID155722084
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Nameethane;1-(4-methyl-3-prop-1-en-2-ylphenyl)piperazine
SMILESC=C(C)c1cc(N2CCNCC2)ccc1C.CC
InChIInChI=1S/C14H20N2.C2H6/c1-11(2)14-10-13(5-4-12(14)3)16-8-6-15-7-9-16;1-2/h4-5,10,15H,1,6-9H2,2-3H3;1-2H3
InChIKeyOXIRGNUBCWFXTK-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methyl-3-prop-1-en-2-ylphenyl)piperazine?
The IUPAC name of ethane;1-(4-methyl-3-prop-1-en-2-ylphenyl)piperazine (CID 155722084) is ethane;1-(4-methyl-3-prop-1-en-2-ylphenyl)piperazine.
What is the SMILES notation for ethane;1-(4-methyl-3-prop-1-en-2-ylphenyl)piperazine?
The canonical SMILES for ethane;1-(4-methyl-3-prop-1-en-2-ylphenyl)piperazine is C=C(C)c1cc(N2CCNCC2)ccc1C.CC.
What is the InChIKey of ethane;1-(4-methyl-3-prop-1-en-2-ylphenyl)piperazine?
The InChIKey is OXIRGNUBCWFXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C2H6/c1-11(2)14-10-13(5-4-12(14)3)16-8-6-15-7-9-16;1-2/h4-5,10,15H,1,6-9H2,2-3H3;1-2H3.
What are the key properties of ethane;1-(4-methyl-3-prop-1-en-2-ylphenyl)piperazine?
ethane;1-(4-methyl-3-prop-1-en-2-ylphenyl)piperazine has a molecular weight of 246.40 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methyl-3-prop-1-en-2-ylphenyl)piperazine is sourced from PubChem (CID 155722084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).