1-[(4-fluorophenyl)methyl]-4-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]piperazine

C25H27FN2OS — CID 167437568

IUPAC1-[(4-fluorophenyl)methyl]-4-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]piperazine
SMILESFc1ccc(CN2CCN(CC3OCC(c4ccccc4)c4ccsc43)CC2)cc1
InChIInChI=1S/C25H27FN2OS/c26-21-8-6-19(7-9-21)16-27-11-13-28(14-12-27)17-24-25-22(10-15-30-25)23(18-29-24)20-4-2-1-3-5-20/h1-10,15,23-24H,11-14,16-18H2
InChIKeyYFLMBFOMPGMVAK-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.91
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-4-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]piperazine

1-[(4-fluorophenyl)methyl]-4-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]piperazine (PubChem CID 167437568) has the molecular formula C25H27FN2OS and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]piperazine
PubChem CID167437568
Molecular FormulaC25H27FN2OS
Molecular Weight422.57 g/mol
Exact Mass422.18
IUPAC Name1-[(4-fluorophenyl)methyl]-4-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]piperazine
SMILESFc1ccc(CN2CCN(CC3OCC(c4ccccc4)c4ccsc43)CC2)cc1
InChIInChI=1S/C25H27FN2OS/c26-21-8-6-19(7-9-21)16-27-11-13-28(14-12-27)17-24-25-22(10-15-30-25)23(18-29-24)20-4-2-1-3-5-20/h1-10,15,23-24H,11-14,16-18H2
InChIKeyYFLMBFOMPGMVAK-UHFFFAOYSA-N
XLogP4.91
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]piperazine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]piperazine (CID 167437568) is 1-[(4-fluorophenyl)methyl]-4-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]piperazine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]piperazine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]piperazine is Fc1ccc(CN2CCN(CC3OCC(c4ccccc4)c4ccsc43)CC2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]piperazine?
The InChIKey is YFLMBFOMPGMVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2OS/c26-21-8-6-19(7-9-21)16-27-11-13-28(14-12-27)17-24-25-22(10-15-30-25)23(18-29-24)20-4-2-1-3-5-20/h1-10,15,23-24H,11-14,16-18H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]piperazine?
1-[(4-fluorophenyl)methyl]-4-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]piperazine has a molecular weight of 422.57 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-[(4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)methyl]piperazine is sourced from PubChem (CID 167437568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).