1-(4-fluorophenyl)-4-[2-(3-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine

C22H27FN2O — CID 23288813

IUPAC1-(4-fluorophenyl)-4-[2-(3-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine
SMILESCC1Cc2ccccc2C(CCN2CCN(c3ccc(F)cc3)CC2)O1
InChIInChI=1S/C22H27FN2O/c1-17-16-18-4-2-3-5-21(18)22(26-17)10-11-24-12-14-25(15-13-24)20-8-6-19(23)7-9-20/h2-9,17,22H,10-16H2,1H3
InChIKeyMYGJRSITEASUGG-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.04
Rot. Bonds4

About 1-(4-fluorophenyl)-4-[2-(3-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine

1-(4-fluorophenyl)-4-[2-(3-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine (PubChem CID 23288813) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[2-(3-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[2-(3-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine
PubChem CID23288813
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name1-(4-fluorophenyl)-4-[2-(3-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine
SMILESCC1Cc2ccccc2C(CCN2CCN(c3ccc(F)cc3)CC2)O1
InChIInChI=1S/C22H27FN2O/c1-17-16-18-4-2-3-5-21(18)22(26-17)10-11-24-12-14-25(15-13-24)20-8-6-19(23)7-9-20/h2-9,17,22H,10-16H2,1H3
InChIKeyMYGJRSITEASUGG-UHFFFAOYSA-N
XLogP4.04
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[2-(3-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[2-(3-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine (CID 23288813) is 1-(4-fluorophenyl)-4-[2-(3-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[2-(3-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[2-(3-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine is CC1Cc2ccccc2C(CCN2CCN(c3ccc(F)cc3)CC2)O1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[2-(3-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine?
The InChIKey is MYGJRSITEASUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-17-16-18-4-2-3-5-21(18)22(26-17)10-11-24-12-14-25(15-13-24)20-8-6-19(23)7-9-20/h2-9,17,22H,10-16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[2-(3-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine?
1-(4-fluorophenyl)-4-[2-(3-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine has a molecular weight of 354.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[2-(3-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine is sourced from PubChem (CID 23288813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).