phenyl 4-(2-fluorophenyl)piperazine-1-carboxylate

C17H17FN2O2 — CID 3414404

IUPACphenyl 4-(2-fluorophenyl)piperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H17FN2O2/c18-15-8-4-5-9-16(15)19-10-12-20(13-11-19)17(21)22-14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyVZXNCYURITYJLV-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.15
Rot. Bonds2

About phenyl 4-(2-fluorophenyl)piperazine-1-carboxylate

phenyl 4-(2-fluorophenyl)piperazine-1-carboxylate (PubChem CID 3414404) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is phenyl 4-(2-fluorophenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(2-fluorophenyl)piperazine-1-carboxylate
PubChem CID3414404
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Namephenyl 4-(2-fluorophenyl)piperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H17FN2O2/c18-15-8-4-5-9-16(15)19-10-12-20(13-11-19)17(21)22-14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyVZXNCYURITYJLV-UHFFFAOYSA-N
XLogP3.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
CID 807242
[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate
CID 798609
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108532363
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetate
CID 112683958
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone
CID 95577530
phenyl 4-propanoylpiperazine-1-carboxylate
CID 46228295

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(2-fluorophenyl)piperazine-1-carboxylate?
The IUPAC name of phenyl 4-(2-fluorophenyl)piperazine-1-carboxylate (CID 3414404) is phenyl 4-(2-fluorophenyl)piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-(2-fluorophenyl)piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-(2-fluorophenyl)piperazine-1-carboxylate is O=C(Oc1ccccc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of phenyl 4-(2-fluorophenyl)piperazine-1-carboxylate?
The InChIKey is VZXNCYURITYJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-15-8-4-5-9-16(15)19-10-12-20(13-11-19)17(21)22-14-6-2-1-3-7-14/h1-9H,10-13H2.
What are the key properties of phenyl 4-(2-fluorophenyl)piperazine-1-carboxylate?
phenyl 4-(2-fluorophenyl)piperazine-1-carboxylate has a molecular weight of 300.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(2-fluorophenyl)piperazine-1-carboxylate is sourced from PubChem (CID 3414404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).