2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydrochromen-4-one

C20H21FN2O2 — CID 59178057

IUPAC2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydrochromen-4-one
SMILESO=C1CC(CN2CCN(c3ccccc3F)CC2)Oc2ccccc21
InChIInChI=1S/C20H21FN2O2/c21-17-6-2-3-7-18(17)23-11-9-22(10-12-23)14-15-13-19(24)16-5-1-4-8-20(16)25-15/h1-8,15H,9-14H2
InChIKeyAYKTVYPZZQZTCI-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.98
Rot. Bonds3

About 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydrochromen-4-one

2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydrochromen-4-one (PubChem CID 59178057) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydrochromen-4-one
PubChem CID59178057
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydrochromen-4-one
SMILESO=C1CC(CN2CCN(c3ccccc3F)CC2)Oc2ccccc21
InChIInChI=1S/C20H21FN2O2/c21-17-6-2-3-7-18(17)23-11-9-22(10-12-23)14-15-13-19(24)16-5-1-4-8-20(16)25-15/h1-8,15H,9-14H2
InChIKeyAYKTVYPZZQZTCI-UHFFFAOYSA-N
XLogP2.98
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]morpholin-3-one
CID 171700802
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]isoindole-1,3-dione
CID 28881531
2-[[4-(2-fluorophenyl)piperazin-1-yl]methylidene]indene-1,3-dione
CID 3585896
2-(2-hydroxybutyl)-2,3-dihydrochromen-4-one
CID 23513119
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine
CID 79207543
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-propylphenyl)piperazine
CID 46209304
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
CID 93355113
1-(2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine
CID 97185936
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 2770548
1-(2-fluorophenyl)-4-[(3-methylpyrrolidin-2-yl)methyl]piperazine
CID 102775666
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione
CID 110703277

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydrochromen-4-one?
The IUPAC name of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydrochromen-4-one (CID 59178057) is 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydrochromen-4-one is O=C1CC(CN2CCN(c3ccccc3F)CC2)Oc2ccccc21.
What is the InChIKey of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydrochromen-4-one?
The InChIKey is AYKTVYPZZQZTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-17-6-2-3-7-18(17)23-11-9-22(10-12-23)14-15-13-19(24)16-5-1-4-8-20(16)25-15/h1-8,15H,9-14H2.
What are the key properties of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydrochromen-4-one?
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydrochromen-4-one has a molecular weight of 340.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 59178057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).