2,2-diethyl-1-(3-fluoropropyl)-5-propylpiperazine

C14H29FN2 — CID 81114778

IUPAC2,2-diethyl-1-(3-fluoropropyl)-5-propylpiperazine
SMILESCCCC1CN(CCCF)C(CC)(CC)CN1
InChIInChI=1S/C14H29FN2/c1-4-8-13-11-17(10-7-9-15)14(5-2,6-3)12-16-13/h13,16H,4-12H2,1-3H3
InChIKeyRGDMWEXGZNDGJC-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.98
Rot. Bonds7

About 2,2-diethyl-1-(3-fluoropropyl)-5-propylpiperazine

2,2-diethyl-1-(3-fluoropropyl)-5-propylpiperazine (PubChem CID 81114778) has the molecular formula C14H29FN2 and a molecular weight of 244.40 g/mol. Its IUPAC name is 2,2-diethyl-1-(3-fluoropropyl)-5-propylpiperazine.

Molecular Properties

Compound Name2,2-diethyl-1-(3-fluoropropyl)-5-propylpiperazine
PubChem CID81114778
Molecular FormulaC14H29FN2
Molecular Weight244.40 g/mol
Exact Mass244.23
IUPAC Name2,2-diethyl-1-(3-fluoropropyl)-5-propylpiperazine
SMILESCCCC1CN(CCCF)C(CC)(CC)CN1
InChIInChI=1S/C14H29FN2/c1-4-8-13-11-17(10-7-9-15)14(5-2,6-3)12-16-13/h13,16H,4-12H2,1-3H3
InChIKeyRGDMWEXGZNDGJC-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-diethyl-1-(3-fluoropropyl)-5-propylpiperazine 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 2,2-diethyl-1-(3-fluoropropyl)-5-propylpiperazine?
The IUPAC name of 2,2-diethyl-1-(3-fluoropropyl)-5-propylpiperazine (CID 81114778) is 2,2-diethyl-1-(3-fluoropropyl)-5-propylpiperazine.
What is the SMILES notation for 2,2-diethyl-1-(3-fluoropropyl)-5-propylpiperazine?
The canonical SMILES for 2,2-diethyl-1-(3-fluoropropyl)-5-propylpiperazine is CCCC1CN(CCCF)C(CC)(CC)CN1.
What is the InChIKey of 2,2-diethyl-1-(3-fluoropropyl)-5-propylpiperazine?
The InChIKey is RGDMWEXGZNDGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2/c1-4-8-13-11-17(10-7-9-15)14(5-2,6-3)12-16-13/h13,16H,4-12H2,1-3H3.
What are the key properties of 2,2-diethyl-1-(3-fluoropropyl)-5-propylpiperazine?
2,2-diethyl-1-(3-fluoropropyl)-5-propylpiperazine has a molecular weight of 244.40 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1-(3-fluoropropyl)-5-propylpiperazine is sourced from PubChem (CID 81114778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).