1-[2-(2-fluorophenyl)ethyl]-2,5-di(propan-2-yl)piperazine

C18H29FN2 — CID 64953673

IUPAC1-[2-(2-fluorophenyl)ethyl]-2,5-di(propan-2-yl)piperazine
SMILESCC(C)C1CN(CCc2ccccc2F)C(C(C)C)CN1
InChIInChI=1S/C18H29FN2/c1-13(2)17-12-21(18(11-20-17)14(3)4)10-9-15-7-5-6-8-16(15)19/h5-8,13-14,17-18,20H,9-12H2,1-4H3
InChIKeyJBBJHQJVRARWQX-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.32
Rot. Bonds5

About 1-[2-(2-fluorophenyl)ethyl]-2,5-di(propan-2-yl)piperazine

1-[2-(2-fluorophenyl)ethyl]-2,5-di(propan-2-yl)piperazine (PubChem CID 64953673) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-2,5-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-2,5-di(propan-2-yl)piperazine
PubChem CID64953673
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-2,5-di(propan-2-yl)piperazine
SMILESCC(C)C1CN(CCc2ccccc2F)C(C(C)C)CN1
InChIInChI=1S/C18H29FN2/c1-13(2)17-12-21(18(11-20-17)14(3)4)10-9-15-7-5-6-8-16(15)19/h5-8,13-14,17-18,20H,9-12H2,1-4H3
InChIKeyJBBJHQJVRARWQX-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-1-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpiperazine
CID 64932196
2-tert-butyl-1-[(2-fluorophenyl)methyl]-5-propan-2-ylpiperazine
CID 64839634
5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64931798
2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine
CID 64937734
5-tert-butyl-1-[(2-fluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64843383
4-[2-[2,5-di(propan-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 106043362
1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine
CID 64832129
2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine
CID 64833712
2,5-di(propan-2-yl)-1-(2-propylphenyl)piperazine
CID 64938901
5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine
CID 64934070
2-butan-2-yl-1-[(2-chlorophenyl)methyl]-5-propan-2-ylpiperazine
CID 64839619
1-(2-piperidin-1-ylethyl)-2,5-di(propan-2-yl)piperazine
CID 82249272

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-2,5-di(propan-2-yl)piperazine?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-2,5-di(propan-2-yl)piperazine (CID 64953673) is 1-[2-(2-fluorophenyl)ethyl]-2,5-di(propan-2-yl)piperazine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-2,5-di(propan-2-yl)piperazine?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-2,5-di(propan-2-yl)piperazine is CC(C)C1CN(CCc2ccccc2F)C(C(C)C)CN1.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-2,5-di(propan-2-yl)piperazine?
The InChIKey is JBBJHQJVRARWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-13(2)17-12-21(18(11-20-17)14(3)4)10-9-15-7-5-6-8-16(15)19/h5-8,13-14,17-18,20H,9-12H2,1-4H3.
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-2,5-di(propan-2-yl)piperazine?
1-[2-(2-fluorophenyl)ethyl]-2,5-di(propan-2-yl)piperazine has a molecular weight of 292.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-2,5-di(propan-2-yl)piperazine is sourced from PubChem (CID 64953673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).