5,5-diethyl-1-[1-(4-fluorophenyl)propan-2-yl]-2-methylpiperazine

C18H29FN2 — CID 64941170

IUPAC5,5-diethyl-1-[1-(4-fluorophenyl)propan-2-yl]-2-methylpiperazine
SMILESCCC1(CC)CN(C(C)Cc2ccc(F)cc2)C(C)CN1
InChIInChI=1S/C18H29FN2/c1-5-18(6-2)13-21(15(4)12-20-18)14(3)11-16-7-9-17(19)10-8-16/h7-10,14-15,20H,5-6,11-13H2,1-4H3
InChIKeyQFKNTRRHQLDCNV-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.61
Rot. Bonds5

About 5,5-diethyl-1-[1-(4-fluorophenyl)propan-2-yl]-2-methylpiperazine

5,5-diethyl-1-[1-(4-fluorophenyl)propan-2-yl]-2-methylpiperazine (PubChem CID 64941170) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 5,5-diethyl-1-[1-(4-fluorophenyl)propan-2-yl]-2-methylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-1-[1-(4-fluorophenyl)propan-2-yl]-2-methylpiperazine
PubChem CID64941170
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name5,5-diethyl-1-[1-(4-fluorophenyl)propan-2-yl]-2-methylpiperazine
SMILESCCC1(CC)CN(C(C)Cc2ccc(F)cc2)C(C)CN1
InChIInChI=1S/C18H29FN2/c1-5-18(6-2)13-21(15(4)12-20-18)14(3)11-16-7-9-17(19)10-8-16/h7-10,14-15,20H,5-6,11-13H2,1-4H3
InChIKeyQFKNTRRHQLDCNV-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine
CID 64946647
1-[(2,4-difluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine
CID 64859837
1-[(3,4-dimethylphenyl)methyl]-5,5-diethyl-2-methylpiperazine
CID 64861187
1-[(2-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine
CID 64860226
1-benzyl-5,5-diethyl-2-methylpiperazine
CID 64862341
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,5-diethyl-2-methylpiperazine
CID 64933143
2,5-diethyl-5-methyl-1-(1-phenylpropan-2-yl)piperazine
CID 64941765
2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]-5-propylpiperazine
CID 64940976
5-cyclopropyl-2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]piperazine
CID 64940977
[(2S)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]pyrrolidin-2-yl]methanamine
CID 100597047
1-(1-cyclohexylpropyl)-5,5-diethyl-2-methylpiperazine
CID 64940945
5,5-diethyl-1-pentan-2-yl-2-phenylpiperazine
CID 64931390

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-[1-(4-fluorophenyl)propan-2-yl]-2-methylpiperazine?
The IUPAC name of 5,5-diethyl-1-[1-(4-fluorophenyl)propan-2-yl]-2-methylpiperazine (CID 64941170) is 5,5-diethyl-1-[1-(4-fluorophenyl)propan-2-yl]-2-methylpiperazine.
What is the SMILES notation for 5,5-diethyl-1-[1-(4-fluorophenyl)propan-2-yl]-2-methylpiperazine?
The canonical SMILES for 5,5-diethyl-1-[1-(4-fluorophenyl)propan-2-yl]-2-methylpiperazine is CCC1(CC)CN(C(C)Cc2ccc(F)cc2)C(C)CN1.
What is the InChIKey of 5,5-diethyl-1-[1-(4-fluorophenyl)propan-2-yl]-2-methylpiperazine?
The InChIKey is QFKNTRRHQLDCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-5-18(6-2)13-21(15(4)12-20-18)14(3)11-16-7-9-17(19)10-8-16/h7-10,14-15,20H,5-6,11-13H2,1-4H3.
What are the key properties of 5,5-diethyl-1-[1-(4-fluorophenyl)propan-2-yl]-2-methylpiperazine?
5,5-diethyl-1-[1-(4-fluorophenyl)propan-2-yl]-2-methylpiperazine has a molecular weight of 292.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-[1-(4-fluorophenyl)propan-2-yl]-2-methylpiperazine is sourced from PubChem (CID 64941170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).