1-[(E)-3-fluoroprop-2-enyl]-4-methylpiperazine

C8H15FN2 — CID 146499163

IUPAC1-[(E)-3-fluoroprop-2-enyl]-4-methylpiperazine
SMILESCN1CCN(C/C=C/F)CC1
InChIInChI=1S/C8H15FN2/c1-10-5-7-11(8-6-10)4-2-3-9/h2-3H,4-8H2,1H3/b3-2+
InChIKeyOOXBXFOBAXHNFF-NSCUHMNNSA-N
MW158.22 g/mol
LogP0.72
Rot. Bonds2

About 1-[(E)-3-fluoroprop-2-enyl]-4-methylpiperazine

1-[(E)-3-fluoroprop-2-enyl]-4-methylpiperazine (PubChem CID 146499163) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 1-[(E)-3-fluoroprop-2-enyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(E)-3-fluoroprop-2-enyl]-4-methylpiperazine
PubChem CID146499163
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name1-[(E)-3-fluoroprop-2-enyl]-4-methylpiperazine
SMILESCN1CCN(C/C=C/F)CC1
InChIInChI=1S/C8H15FN2/c1-10-5-7-11(8-6-10)4-2-3-9/h2-3H,4-8H2,1H3/b3-2+
InChIKeyOOXBXFOBAXHNFF-NSCUHMNNSA-N
XLogP0.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-fluoroprop-2-enyl]-4-methylpiperazine?
The IUPAC name of 1-[(E)-3-fluoroprop-2-enyl]-4-methylpiperazine (CID 146499163) is 1-[(E)-3-fluoroprop-2-enyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(E)-3-fluoroprop-2-enyl]-4-methylpiperazine?
The canonical SMILES for 1-[(E)-3-fluoroprop-2-enyl]-4-methylpiperazine is CN1CCN(C/C=C/F)CC1.
What is the InChIKey of 1-[(E)-3-fluoroprop-2-enyl]-4-methylpiperazine?
The InChIKey is OOXBXFOBAXHNFF-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H15FN2/c1-10-5-7-11(8-6-10)4-2-3-9/h2-3H,4-8H2,1H3/b3-2+.
What are the key properties of 1-[(E)-3-fluoroprop-2-enyl]-4-methylpiperazine?
1-[(E)-3-fluoroprop-2-enyl]-4-methylpiperazine has a molecular weight of 158.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-fluoroprop-2-enyl]-4-methylpiperazine is sourced from PubChem (CID 146499163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).