2-ethyl-1-(3-fluoropropyl)-2-methyl-5-propylpiperazine

C13H27FN2 — CID 81114777

IUPAC2-ethyl-1-(3-fluoropropyl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(CCCF)C(C)(CC)CN1
InChIInChI=1S/C13H27FN2/c1-4-7-12-10-16(9-6-8-14)13(3,5-2)11-15-12/h12,15H,4-11H2,1-3H3
InChIKeyUJNJYWQIHIBQCK-UHFFFAOYSA-N
MW230.37 g/mol
LogP2.59
Rot. Bonds6

About 2-ethyl-1-(3-fluoropropyl)-2-methyl-5-propylpiperazine

2-ethyl-1-(3-fluoropropyl)-2-methyl-5-propylpiperazine (PubChem CID 81114777) has the molecular formula C13H27FN2 and a molecular weight of 230.37 g/mol. Its IUPAC name is 2-ethyl-1-(3-fluoropropyl)-2-methyl-5-propylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(3-fluoropropyl)-2-methyl-5-propylpiperazine
PubChem CID81114777
Molecular FormulaC13H27FN2
Molecular Weight230.37 g/mol
Exact Mass230.22
IUPAC Name2-ethyl-1-(3-fluoropropyl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(CCCF)C(C)(CC)CN1
InChIInChI=1S/C13H27FN2/c1-4-7-12-10-16(9-6-8-14)13(3,5-2)11-15-12/h12,15H,4-11H2,1-3H3
InChIKeyUJNJYWQIHIBQCK-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

2-ethyl-1-(2-fluoroethyl)-2-methyl-5-propylpiperazine
CID 80698159
2-ethyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-propylpiperazine
CID 64840555
2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 80697725
2-ethyl-2-methyl-1-(2-methylbutyl)-5-propylpiperazine
CID 64838038
2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine
CID 64840168
2,2-diethyl-1-pentyl-5-propylpiperazine
CID 64839985
1-butyl-2-cyclopropyl-2-methyl-5-propylpiperazine
CID 64839603
5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine
CID 64849755
1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane
CID 80698291
2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64838813
1-(3-fluoropropyl)-2,5-dipropylpiperazine
CID 81114186
6-butyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64838046

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-fluoropropyl)-2-methyl-5-propylpiperazine?
The IUPAC name of 2-ethyl-1-(3-fluoropropyl)-2-methyl-5-propylpiperazine (CID 81114777) is 2-ethyl-1-(3-fluoropropyl)-2-methyl-5-propylpiperazine.
What is the SMILES notation for 2-ethyl-1-(3-fluoropropyl)-2-methyl-5-propylpiperazine?
The canonical SMILES for 2-ethyl-1-(3-fluoropropyl)-2-methyl-5-propylpiperazine is CCCC1CN(CCCF)C(C)(CC)CN1.
What is the InChIKey of 2-ethyl-1-(3-fluoropropyl)-2-methyl-5-propylpiperazine?
The InChIKey is UJNJYWQIHIBQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2/c1-4-7-12-10-16(9-6-8-14)13(3,5-2)11-15-12/h12,15H,4-11H2,1-3H3.
What are the key properties of 2-ethyl-1-(3-fluoropropyl)-2-methyl-5-propylpiperazine?
2-ethyl-1-(3-fluoropropyl)-2-methyl-5-propylpiperazine has a molecular weight of 230.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-fluoropropyl)-2-methyl-5-propylpiperazine is sourced from PubChem (CID 81114777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).