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

C18H27FN2 — CID 64940977

IUPAC5-cyclopropyl-2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]piperazine
SMILESCCC1CNC(C2CC2)CN1C(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H27FN2/c1-3-17-11-20-18(15-6-7-15)12-21(17)13(2)10-14-4-8-16(19)9-5-14/h4-5,8-9,13,15,17-18,20H,3,6-7,10-12H2,1-2H3
InChIKeyQAHGFZLTPNQVRT-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.22
Rot. Bonds5

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

5-cyclopropyl-2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]piperazine (PubChem CID 64940977) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]piperazine
PubChem CID64940977
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name5-cyclopropyl-2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]piperazine
SMILESCCC1CNC(C2CC2)CN1C(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H27FN2/c1-3-17-11-20-18(15-6-7-15)12-21(17)13(2)10-14-4-8-16(19)9-5-14/h4-5,8-9,13,15,17-18,20H,3,6-7,10-12H2,1-2H3
InChIKeyQAHGFZLTPNQVRT-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]-5-propylpiperazine
CID 64940976
5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine
CID 64947817
2-benzyl-1-butan-2-yl-5-cyclopropylpiperazine
CID 79446756
2-ethyl-1-(1-phenylpropan-2-yl)-5-propan-2-ylpiperazine
CID 64937812
5-cyclopropyl-2-ethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
CID 66244508
5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 105375742
5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64861828
5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine
CID 64940311
[(2S)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]pyrrolidin-2-yl]methanamine
CID 100597047
1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine
CID 64862407
5-cyclopropyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine
CID 64931562
5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine
CID 64931158

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]piperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]piperazine (CID 64940977) is 5-cyclopropyl-2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]piperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]piperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]piperazine is CCC1CNC(C2CC2)CN1C(C)Cc1ccc(F)cc1.
What is the InChIKey of 5-cyclopropyl-2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]piperazine?
The InChIKey is QAHGFZLTPNQVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-3-17-11-20-18(15-6-7-15)12-21(17)13(2)10-14-4-8-16(19)9-5-14/h4-5,8-9,13,15,17-18,20H,3,6-7,10-12H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]piperazine?
5-cyclopropyl-2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]piperazine has a molecular weight of 290.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]piperazine is sourced from PubChem (CID 64940977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).