3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C20H21FN2O2 — CID 22578090

IUPAC3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1COc2ccccc2C1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O2/c21-17-5-7-18(8-6-17)22-9-11-23(12-10-22)20(24)16-13-15-3-1-2-4-19(15)25-14-16/h1-8,16H,9-14H2
InChIKeyQQMDLOZZHWEGJR-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.73
Rot. Bonds2

About 3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone

3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 22578090) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID22578090
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1COc2ccccc2C1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O2/c21-17-5-7-18(8-6-17)22-9-11-23(12-10-22)20(24)16-13-15-3-1-2-4-19(15)25-14-16/h1-8,16H,9-14H2
InChIKeyQQMDLOZZHWEGJR-UHFFFAOYSA-N
XLogP2.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18093513
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 95375095
3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 134022339
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone
CID 97137307
[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 97139467
(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
CID 51925423
3,4-dihydro-2H-chromen-3-yl-[4-[4-(pyrimidin-4-ylamino)sulfanylphenyl]piperazin-1-yl]methanone
CID 89404811
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 112532321
3,4-dihydro-2H-chromen-3-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 22578087

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 22578090) is 3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(C1COc2ccccc2C1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is QQMDLOZZHWEGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-17-5-7-18(8-6-17)22-9-11-23(12-10-22)20(24)16-13-15-3-1-2-4-19(15)25-14-16/h1-8,16H,9-14H2.
What are the key properties of 3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 340.40 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 22578090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).