1-(3-fluoropropyl)-2,5-dipropylpiperazine

C13H27FN2 — CID 81114186

IUPAC1-(3-fluoropropyl)-2,5-dipropylpiperazine
SMILESCCCC1CN(CCCF)C(CCC)CN1
InChIInChI=1S/C13H27FN2/c1-3-6-12-11-16(9-5-8-14)13(7-4-2)10-15-12/h12-13,15H,3-11H2,1-2H3
InChIKeyUYFKIVRBIXJATO-UHFFFAOYSA-N
MW230.37 g/mol
LogP2.59
Rot. Bonds7

About 1-(3-fluoropropyl)-2,5-dipropylpiperazine

1-(3-fluoropropyl)-2,5-dipropylpiperazine (PubChem CID 81114186) has the molecular formula C13H27FN2 and a molecular weight of 230.37 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2,5-dipropylpiperazine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2,5-dipropylpiperazine
PubChem CID81114186
Molecular FormulaC13H27FN2
Molecular Weight230.37 g/mol
Exact Mass230.22
IUPAC Name1-(3-fluoropropyl)-2,5-dipropylpiperazine
SMILESCCCC1CN(CCCF)C(CCC)CN1
InChIInChI=1S/C13H27FN2/c1-3-6-12-11-16(9-5-8-14)13(7-4-2)10-15-12/h12-13,15H,3-11H2,1-2H3
InChIKeyUYFKIVRBIXJATO-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoropropyl)-2,5-dipropylpiperazine 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-(3-fluoropropyl)-2,5-dipropylpiperazine?
The IUPAC name of 1-(3-fluoropropyl)-2,5-dipropylpiperazine (CID 81114186) is 1-(3-fluoropropyl)-2,5-dipropylpiperazine.
What is the SMILES notation for 1-(3-fluoropropyl)-2,5-dipropylpiperazine?
The canonical SMILES for 1-(3-fluoropropyl)-2,5-dipropylpiperazine is CCCC1CN(CCCF)C(CCC)CN1.
What is the InChIKey of 1-(3-fluoropropyl)-2,5-dipropylpiperazine?
The InChIKey is UYFKIVRBIXJATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2/c1-3-6-12-11-16(9-5-8-14)13(7-4-2)10-15-12/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 1-(3-fluoropropyl)-2,5-dipropylpiperazine?
1-(3-fluoropropyl)-2,5-dipropylpiperazine has a molecular weight of 230.37 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2,5-dipropylpiperazine is sourced from PubChem (CID 81114186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).