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

C19H21FN2O2 — CID 120737414

IUPAC1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C19H21FN2O2/c1-14(24-17-8-3-2-4-9-17)19(23)22-11-10-21-13-18(22)15-6-5-7-16(20)12-15/h2-9,12,14,18,21H,10-11,13H2,1H3
InChIKeyMIGWVXUJSSTKDH-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.77
Rot. Bonds4

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

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one (PubChem CID 120737414) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
PubChem CID120737414
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C19H21FN2O2/c1-14(24-17-8-3-2-4-9-17)19(23)22-11-10-21-13-18(22)15-6-5-7-16(20)12-15/h2-9,12,14,18,21H,10-11,13H2,1H3
InChIKeyMIGWVXUJSSTKDH-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one;hydrochloride
CID 120737787
N-[1-[2-(3-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 120737082
2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120735900
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
CID 120734753
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 120736144
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)propan-1-one;hydrochloride
CID 120737193
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 120737134
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride
CID 120735492
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one
CID 120803481
2-butylsulfanyl-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120735966
2-(2-chloro-4-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120728927

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one?
The IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one (CID 120737414) is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one is CC(Oc1ccccc1)C(=O)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one?
The InChIKey is MIGWVXUJSSTKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-14(24-17-8-3-2-4-9-17)19(23)22-11-10-21-13-18(22)15-6-5-7-16(20)12-15/h2-9,12,14,18,21H,10-11,13H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one?
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one has a molecular weight of 328.39 g/mol, XLogP of 2.77, 4 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]-2-phenoxypropan-1-one is sourced from PubChem (CID 120737414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).