1-ethyl-4-[2-[(E)-oct-3-en-4-yl]phenyl]piperazine;propane

C23H40N2 — CID 143071663

IUPAC1-ethyl-4-[2-[(E)-oct-3-en-4-yl]phenyl]piperazine;propane
SMILESCC/C=C(\CCCC)c1ccccc1N1CCN(CC)CC1.CCC
InChIInChI=1S/C20H32N2.C3H8/c1-4-7-11-18(10-5-2)19-12-8-9-13-20(19)22-16-14-21(6-3)15-17-22;1-3-2/h8-10,12-13H,4-7,11,14-17H2,1-3H3;3H2,1-2H3/b18-10+;
InChIKeyVVNRVPLOLKQIJW-DYMYMWKRSA-N
MW344.59 g/mol
LogP6.23
Rot. Bonds7

About 1-ethyl-4-[2-[(E)-oct-3-en-4-yl]phenyl]piperazine;propane

1-ethyl-4-[2-[(E)-oct-3-en-4-yl]phenyl]piperazine;propane (PubChem CID 143071663) has the molecular formula C23H40N2 and a molecular weight of 344.59 g/mol. Its IUPAC name is 1-ethyl-4-[2-[(E)-oct-3-en-4-yl]phenyl]piperazine;propane.

Molecular Properties

Compound Name1-ethyl-4-[2-[(E)-oct-3-en-4-yl]phenyl]piperazine;propane
PubChem CID143071663
Molecular FormulaC23H40N2
Molecular Weight344.59 g/mol
Exact Mass344.32
IUPAC Name1-ethyl-4-[2-[(E)-oct-3-en-4-yl]phenyl]piperazine;propane
SMILESCC/C=C(\CCCC)c1ccccc1N1CCN(CC)CC1.CCC
InChIInChI=1S/C20H32N2.C3H8/c1-4-7-11-18(10-5-2)19-12-8-9-13-20(19)22-16-14-21(6-3)15-17-22;1-3-2/h8-10,12-13H,4-7,11,14-17H2,1-3H3;3H2,1-2H3/b18-10+;
InChIKeyVVNRVPLOLKQIJW-DYMYMWKRSA-N
XLogP6.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-[(E)-oct-3-en-4-yl]phenyl]piperazine;propane?
The IUPAC name of 1-ethyl-4-[2-[(E)-oct-3-en-4-yl]phenyl]piperazine;propane (CID 143071663) is 1-ethyl-4-[2-[(E)-oct-3-en-4-yl]phenyl]piperazine;propane.
What is the SMILES notation for 1-ethyl-4-[2-[(E)-oct-3-en-4-yl]phenyl]piperazine;propane?
The canonical SMILES for 1-ethyl-4-[2-[(E)-oct-3-en-4-yl]phenyl]piperazine;propane is CC/C=C(\CCCC)c1ccccc1N1CCN(CC)CC1.CCC.
What is the InChIKey of 1-ethyl-4-[2-[(E)-oct-3-en-4-yl]phenyl]piperazine;propane?
The InChIKey is VVNRVPLOLKQIJW-DYMYMWKRSA-N. The full InChI is InChI=1S/C20H32N2.C3H8/c1-4-7-11-18(10-5-2)19-12-8-9-13-20(19)22-16-14-21(6-3)15-17-22;1-3-2/h8-10,12-13H,4-7,11,14-17H2,1-3H3;3H2,1-2H3/b18-10+;.
What are the key properties of 1-ethyl-4-[2-[(E)-oct-3-en-4-yl]phenyl]piperazine;propane?
1-ethyl-4-[2-[(E)-oct-3-en-4-yl]phenyl]piperazine;propane has a molecular weight of 344.59 g/mol, XLogP of 6.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-[(E)-oct-3-en-4-yl]phenyl]piperazine;propane is sourced from PubChem (CID 143071663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).