2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine

C17H27FN2 — CID 64840168

IUPAC2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine
SMILESCCCC1CN(Cc2ccc(F)cc2)C(C)(CC)CN1
InChIInChI=1S/C17H27FN2/c1-4-6-16-12-20(17(3,5-2)13-19-16)11-14-7-9-15(18)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
InChIKeyGVLHTPXMUFVHPY-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.57
Rot. Bonds5

About 2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine

2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine (PubChem CID 64840168) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine
PubChem CID64840168
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine
SMILESCCCC1CN(Cc2ccc(F)cc2)C(C)(CC)CN1
InChIInChI=1S/C17H27FN2/c1-4-6-16-12-20(17(3,5-2)13-19-16)11-14-7-9-15(18)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
InChIKeyGVLHTPXMUFVHPY-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64838813
2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine
CID 64839799
1-[(3,4-difluorophenyl)methyl]-2,5-diethyl-2-methylpiperazine
CID 82925269
1-benzyl-2,5-diethyl-2-methylpiperazine
CID 64841591
1-[(4-bromophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
CID 64840164
2-ethyl-1-(2-fluoroethyl)-2-methyl-5-propylpiperazine
CID 80698159
1-[(2-chloro-4-fluorophenyl)methyl]-2,5-diethyl-2-methylpiperazine
CID 64843141
1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine
CID 64840562
2-ethyl-1-(3-fluoropropyl)-2-methyl-5-propylpiperazine
CID 81114777
1-[(3,4-dichlorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
CID 64839775
1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 64840421
2-ethyl-2-methyl-1-(2-methylbutyl)-5-propylpiperazine
CID 64838038

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine?
The IUPAC name of 2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine (CID 64840168) is 2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine.
What is the SMILES notation for 2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine?
The canonical SMILES for 2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine is CCCC1CN(Cc2ccc(F)cc2)C(C)(CC)CN1.
What is the InChIKey of 2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine?
The InChIKey is GVLHTPXMUFVHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-6-16-12-20(17(3,5-2)13-19-16)11-14-7-9-15(18)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3.
What are the key properties of 2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine?
2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine has a molecular weight of 278.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine is sourced from PubChem (CID 64840168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).