benzyl 2-fluoro-4-phenylpiperazine-1-carboxylate

C18H19FN2O2 — CID 173257585

IUPACbenzyl 2-fluoro-4-phenylpiperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(c2ccccc2)CC1F
InChIInChI=1S/C18H19FN2O2/c19-17-13-20(16-9-5-2-6-10-16)11-12-21(17)18(22)23-14-15-7-3-1-4-8-15/h1-10,17H,11-14H2
InChIKeyHDYOISWWKPCWPS-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.44
Rot. Bonds3

About benzyl 2-fluoro-4-phenylpiperazine-1-carboxylate

benzyl 2-fluoro-4-phenylpiperazine-1-carboxylate (PubChem CID 173257585) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is benzyl 2-fluoro-4-phenylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-fluoro-4-phenylpiperazine-1-carboxylate
PubChem CID173257585
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Namebenzyl 2-fluoro-4-phenylpiperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(c2ccccc2)CC1F
InChIInChI=1S/C18H19FN2O2/c19-17-13-20(16-9-5-2-6-10-16)11-12-21(17)18(22)23-14-15-7-3-1-4-8-15/h1-10,17H,11-14H2
InChIKeyHDYOISWWKPCWPS-UHFFFAOYSA-N
XLogP3.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Phenylmethyl 2,3-dihydro-1H-indole-1-carboxylate
CID 4935693
Carbamic acid, N-(3-fluoro-4-(4-morpholinyl)phenyl)-, phenylmethyl ester
CID 5306150
benzyl N-[2-(4-fluoroanilino)-2-oxoethyl]carbamate
CID 24207949
4-[4-(benzyloxy)piperidino]butyl-N-(4-fluorophenyl)carbamate
CID 10179120
2-(Benzyloxy)-1-(4-(2,4-difluorophenyl)piperazin-1-yl)ethanone
CID 24762955
[3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 25120701
3-[3-(2-Fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25181744
6-Allyl-3-(2',4'-difluorobiphenyl-3-yl)-6-phenyl-1,3-oxazinan-2-one
CID 25182139
6-Methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one
CID 25183174
3-(Biphenyl-3-yl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25183175
6-Methyl-6-phenyl-3-m-tolyl-1,3-oxazinan-2-one
CID 25183314
6-Methyl-3,6-diphenyl-1,3-oxazinan-2-one
CID 25183315

Frequently Asked Questions

What is the IUPAC name of benzyl 2-fluoro-4-phenylpiperazine-1-carboxylate?
The IUPAC name of benzyl 2-fluoro-4-phenylpiperazine-1-carboxylate (CID 173257585) is benzyl 2-fluoro-4-phenylpiperazine-1-carboxylate.
What is the SMILES notation for benzyl 2-fluoro-4-phenylpiperazine-1-carboxylate?
The canonical SMILES for benzyl 2-fluoro-4-phenylpiperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCN(c2ccccc2)CC1F.
What is the InChIKey of benzyl 2-fluoro-4-phenylpiperazine-1-carboxylate?
The InChIKey is HDYOISWWKPCWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-17-13-20(16-9-5-2-6-10-16)11-12-21(17)18(22)23-14-15-7-3-1-4-8-15/h1-10,17H,11-14H2.
What are the key properties of benzyl 2-fluoro-4-phenylpiperazine-1-carboxylate?
benzyl 2-fluoro-4-phenylpiperazine-1-carboxylate has a molecular weight of 314.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-fluoro-4-phenylpiperazine-1-carboxylate is sourced from PubChem (CID 173257585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).