1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine

C15H23FN2 — CID 174450752

IUPAC1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H23FN2/c1-12(2)17-8-10-18(11-9-17)13(3)14-4-6-15(16)7-5-14/h4-7,12-13H,8-11H2,1-3H3
InChIKeyGEKHOSZSIYPTOL-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.91
Rot. Bonds3

About 1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine

1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine (PubChem CID 174450752) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine
PubChem CID174450752
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H23FN2/c1-12(2)17-8-10-18(11-9-17)13(3)14-4-6-15(16)7-5-14/h4-7,12-13H,8-11H2,1-3H3
InChIKeyGEKHOSZSIYPTOL-UHFFFAOYSA-N
XLogP2.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine
CID 22760403
1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine
CID 42950771
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
1-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 43797171
1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine
CID 18423146
2-(4-fluorophenyl)-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 134506544
(3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol
CID 126787911
(3S)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-methylpiperazine
CID 96801118
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
CID 8771509
1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
CID 8694227

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine (CID 174450752) is 1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(C(C)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine?
The InChIKey is GEKHOSZSIYPTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12(2)17-8-10-18(11-9-17)13(3)14-4-6-15(16)7-5-14/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine?
1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine has a molecular weight of 250.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 174450752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).