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

C18H29FN2 — CID 64940976

IUPAC2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]-5-propylpiperazine
SMILESCCCC1CN(C(C)Cc2ccc(F)cc2)C(CC)CN1
InChIInChI=1S/C18H29FN2/c1-4-6-17-13-21(18(5-2)12-20-17)14(3)11-15-7-9-16(19)10-8-15/h7-10,14,17-18,20H,4-6,11-13H2,1-3H3
InChIKeyMOCISFFTERRAEK-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.61
Rot. Bonds6

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

2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]-5-propylpiperazine (PubChem CID 64940976) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]-5-propylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]-5-propylpiperazine
PubChem CID64940976
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]-5-propylpiperazine
SMILESCCCC1CN(C(C)Cc2ccc(F)cc2)C(CC)CN1
InChIInChI=1S/C18H29FN2/c1-4-6-17-13-21(18(5-2)12-20-17)14(3)11-15-7-9-16(19)10-8-15/h7-10,14,17-18,20H,4-6,11-13H2,1-3H3
InChIKeyMOCISFFTERRAEK-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-cyclopropyl-2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]piperazine
CID 64940977
2-ethyl-1-(6-methylheptan-2-yl)-5-propylpiperazine
CID 64948165
2-ethyl-1-(1-methoxypropan-2-yl)-5-propylpiperazine
CID 64932571
2-ethyl-1-(1-phenylpropan-2-yl)-5-propan-2-ylpiperazine
CID 64937812
2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64941276
1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride
CID 146675492
2-ethyl-5-propyl-1-(1-pyridin-2-ylethyl)piperazine
CID 64934355
1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine
CID 64845383
2-ethyl-5-(2-methylpropyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64941278
2,5-diethyl-1-hexan-2-ylpiperazine
CID 64947739
5-benzyl-1-(1-ethoxypropan-2-yl)-2-ethylpiperazine
CID 64938160
1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-yl-5-propylpiperazine
CID 64947776

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]-5-propylpiperazine?
The IUPAC name of 2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]-5-propylpiperazine (CID 64940976) is 2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]-5-propylpiperazine.
What is the SMILES notation for 2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]-5-propylpiperazine?
The canonical SMILES for 2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]-5-propylpiperazine is CCCC1CN(C(C)Cc2ccc(F)cc2)C(CC)CN1.
What is the InChIKey of 2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]-5-propylpiperazine?
The InChIKey is MOCISFFTERRAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-6-17-13-21(18(5-2)12-20-17)14(3)11-15-7-9-16(19)10-8-15/h7-10,14,17-18,20H,4-6,11-13H2,1-3H3.
What are the key properties of 2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]-5-propylpiperazine?
2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]-5-propylpiperazine has a molecular weight of 292.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]-5-propylpiperazine is sourced from PubChem (CID 64940976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).