N-ethyl-3-[4-[(Z)-2-fluoroprop-1-enyl]piperazin-1-yl]butan-1-amine

C13H26FN3 — CID 177198053

IUPACN-ethyl-3-[4-[(Z)-2-fluoroprop-1-enyl]piperazin-1-yl]butan-1-amine
SMILESCCNCCC(C)N1CCN(/C=C(/C)F)CC1
InChIInChI=1S/C13H26FN3/c1-4-15-6-5-13(3)17-9-7-16(8-10-17)11-12(2)14/h11,13,15H,4-10H2,1-3H3/b12-11-
InChIKeyRCWYJFUUSNPROK-QXMHVHEDSA-N
MW243.37 g/mol
LogP1.82
Rot. Bonds6

About N-ethyl-3-[4-[(Z)-2-fluoroprop-1-enyl]piperazin-1-yl]butan-1-amine

N-ethyl-3-[4-[(Z)-2-fluoroprop-1-enyl]piperazin-1-yl]butan-1-amine (PubChem CID 177198053) has the molecular formula C13H26FN3 and a molecular weight of 243.37 g/mol. Its IUPAC name is N-ethyl-3-[4-[(Z)-2-fluoroprop-1-enyl]piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[4-[(Z)-2-fluoroprop-1-enyl]piperazin-1-yl]butan-1-amine
PubChem CID177198053
Molecular FormulaC13H26FN3
Molecular Weight243.37 g/mol
Exact Mass243.21
IUPAC NameN-ethyl-3-[4-[(Z)-2-fluoroprop-1-enyl]piperazin-1-yl]butan-1-amine
SMILESCCNCCC(C)N1CCN(/C=C(/C)F)CC1
InChIInChI=1S/C13H26FN3/c1-4-15-6-5-13(3)17-9-7-16(8-10-17)11-12(2)14/h11,13,15H,4-10H2,1-3H3/b12-11-
InChIKeyRCWYJFUUSNPROK-QXMHVHEDSA-N
XLogP1.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[4-[(Z)-2-fluoroprop-1-enyl]piperazin-1-yl]butan-1-amine?
The IUPAC name of N-ethyl-3-[4-[(Z)-2-fluoroprop-1-enyl]piperazin-1-yl]butan-1-amine (CID 177198053) is N-ethyl-3-[4-[(Z)-2-fluoroprop-1-enyl]piperazin-1-yl]butan-1-amine.
What is the SMILES notation for N-ethyl-3-[4-[(Z)-2-fluoroprop-1-enyl]piperazin-1-yl]butan-1-amine?
The canonical SMILES for N-ethyl-3-[4-[(Z)-2-fluoroprop-1-enyl]piperazin-1-yl]butan-1-amine is CCNCCC(C)N1CCN(/C=C(/C)F)CC1.
What is the InChIKey of N-ethyl-3-[4-[(Z)-2-fluoroprop-1-enyl]piperazin-1-yl]butan-1-amine?
The InChIKey is RCWYJFUUSNPROK-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H26FN3/c1-4-15-6-5-13(3)17-9-7-16(8-10-17)11-12(2)14/h11,13,15H,4-10H2,1-3H3/b12-11-.
What are the key properties of N-ethyl-3-[4-[(Z)-2-fluoroprop-1-enyl]piperazin-1-yl]butan-1-amine?
N-ethyl-3-[4-[(Z)-2-fluoroprop-1-enyl]piperazin-1-yl]butan-1-amine has a molecular weight of 243.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-[(Z)-2-fluoroprop-1-enyl]piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 177198053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).