[4-(2-fluorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone

C22H25FN2O2 — CID 27456061

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESO=C(N1CCN(c2ccccc2F)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H25FN2O2/c23-19-8-4-5-9-20(19)24-12-14-25(15-13-24)21(26)22(10-16-27-17-11-22)18-6-2-1-3-7-18/h1-9H,10-17H2
InChIKeyMHQUGFKXDDCRSZ-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.22
Rot. Bonds3

About [4-(2-fluorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone

[4-(2-fluorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone (PubChem CID 27456061) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
PubChem CID27456061
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESO=C(N1CCN(c2ccccc2F)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H25FN2O2/c23-19-8-4-5-9-20(19)24-12-14-25(15-13-24)21(26)22(10-16-27-17-11-22)18-6-2-1-3-7-18/h1-9H,10-17H2
InChIKeyMHQUGFKXDDCRSZ-UHFFFAOYSA-N
XLogP3.22
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-Fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 710849
2-(4-Fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 797923
1-[4-(2-Fluorophenyl)piperazin-1-yl]-2-phenylethanone
CID 967095
1-[4-(2-Fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 1122029
1-[4-(2-Fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 890857
[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 2621380
1-(2-Fluorophenyl)-4-(3-phenylbutanoyl)piperazine
CID 2915755
1-[3-(2-Fluorophenyl)propanoyl]-4-phenylpiperazine
CID 2993486
ethyl 1-{2-[N-(4-fluorophenyl)carbamoyl]ethyl}-4-phenylpiperidine-4-carboxylat e
CID 4018333
1-[4-[4-(4-Fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 1075551
1-[1-Benzyl-2-(methoxymethyl)piperidine-3-carbonyl]-4-(4-fluorophenyl)piperazine
CID 124049185
1-[4-(4-Fluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
CID 1277077

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone (CID 27456061) is [4-(2-fluorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone is O=C(N1CCN(c2ccccc2F)CC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
The InChIKey is MHQUGFKXDDCRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-19-8-4-5-9-20(19)24-12-14-25(15-13-24)21(26)22(10-16-27-17-11-22)18-6-2-1-3-7-18/h1-9H,10-17H2.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone has a molecular weight of 368.45 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone is sourced from PubChem (CID 27456061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).