1-(2-ethyl-4-fluoroheptyl)-4-methylpiperazine

C14H29FN2 — CID 173339598

IUPAC1-(2-ethyl-4-fluoroheptyl)-4-methylpiperazine
SMILESCCCC(F)CC(CC)CN1CCN(C)CC1
InChIInChI=1S/C14H29FN2/c1-4-6-14(15)11-13(5-2)12-17-9-7-16(3)8-10-17/h13-14H,4-12H2,1-3H3
InChIKeyJSXHURNJUSHHDT-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.79
Rot. Bonds7

About 1-(2-ethyl-4-fluoroheptyl)-4-methylpiperazine

1-(2-ethyl-4-fluoroheptyl)-4-methylpiperazine (PubChem CID 173339598) has the molecular formula C14H29FN2 and a molecular weight of 244.40 g/mol. Its IUPAC name is 1-(2-ethyl-4-fluoroheptyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-ethyl-4-fluoroheptyl)-4-methylpiperazine
PubChem CID173339598
Molecular FormulaC14H29FN2
Molecular Weight244.40 g/mol
Exact Mass244.23
IUPAC Name1-(2-ethyl-4-fluoroheptyl)-4-methylpiperazine
SMILESCCCC(F)CC(CC)CN1CCN(C)CC1
InChIInChI=1S/C14H29FN2/c1-4-6-14(15)11-13(5-2)12-17-9-7-16(3)8-10-17/h13-14H,4-12H2,1-3H3
InChIKeyJSXHURNJUSHHDT-UHFFFAOYSA-N
XLogP2.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-ethyl-4-fluoroheptyl)-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-fluoroheptyl)-4-methylpiperazine?
The IUPAC name of 1-(2-ethyl-4-fluoroheptyl)-4-methylpiperazine (CID 173339598) is 1-(2-ethyl-4-fluoroheptyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-ethyl-4-fluoroheptyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-ethyl-4-fluoroheptyl)-4-methylpiperazine is CCCC(F)CC(CC)CN1CCN(C)CC1.
What is the InChIKey of 1-(2-ethyl-4-fluoroheptyl)-4-methylpiperazine?
The InChIKey is JSXHURNJUSHHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2/c1-4-6-14(15)11-13(5-2)12-17-9-7-16(3)8-10-17/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-(2-ethyl-4-fluoroheptyl)-4-methylpiperazine?
1-(2-ethyl-4-fluoroheptyl)-4-methylpiperazine has a molecular weight of 244.40 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-fluoroheptyl)-4-methylpiperazine is sourced from PubChem (CID 173339598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).