1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one

C16H23FN2O2 — CID 120737290

IUPAC1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
SMILESCC(C)OCCC(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-12(2)21-9-6-16(20)19-8-7-18-11-15(19)13-4-3-5-14(17)10-13/h3-5,10,12,15,18H,6-9,11H2,1-2H3
InChIKeyLDDZTYDPLJTVPU-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.11
Rot. Bonds5

About 1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one

1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one (PubChem CID 120737290) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
PubChem CID120737290
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
SMILESCC(C)OCCC(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-12(2)21-9-6-16(20)19-8-7-18-11-15(19)13-4-3-5-14(17)10-13/h3-5,10,12,15,18H,6-9,11H2,1-2H3
InChIKeyLDDZTYDPLJTVPU-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 120736748
5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide
CID 120737953
3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 120736504
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide
CID 120736914
4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 120736192
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 120736221
2-(4-fluorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736085
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone
CID 120735825
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106
1-[2-(3-fluorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 120735703
N-[1-[2-(3-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 120737082

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one?
The IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one (CID 120737290) is 1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one is CC(C)OCCC(=O)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one?
The InChIKey is LDDZTYDPLJTVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-12(2)21-9-6-16(20)19-8-7-18-11-15(19)13-4-3-5-14(17)10-13/h3-5,10,12,15,18H,6-9,11H2,1-2H3.
What are the key properties of 1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one?
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one has a molecular weight of 294.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one is sourced from PubChem (CID 120737290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).