1-[7-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine

C21H25FN2 — CID 11558865

IUPAC1-[7-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine
SMILESCN1CCN(C2CCCc3ccc(-c4ccc(F)cc4)cc32)CC1
InChIInChI=1S/C21H25FN2/c1-23-11-13-24(14-12-23)21-4-2-3-17-5-6-18(15-20(17)21)16-7-9-19(22)10-8-16/h5-10,15,21H,2-4,11-14H2,1H3
InChIKeyGKZSQBOXXPCPCL-UHFFFAOYSA-N
MW324.44 g/mol
LogP4.12
Rot. Bonds2

About 1-[7-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine

1-[7-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine (PubChem CID 11558865) has the molecular formula C21H25FN2 and a molecular weight of 324.44 g/mol. Its IUPAC name is 1-[7-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[7-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine
PubChem CID11558865
Molecular FormulaC21H25FN2
Molecular Weight324.44 g/mol
Exact Mass324.20
IUPAC Name1-[7-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine
SMILESCN1CCN(C2CCCc3ccc(-c4ccc(F)cc4)cc32)CC1
InChIInChI=1S/C21H25FN2/c1-23-11-13-24(14-12-23)21-4-2-3-17-5-6-18(15-20(17)21)16-7-9-19(22)10-8-16/h5-10,15,21H,2-4,11-14H2,1H3
InChIKeyGKZSQBOXXPCPCL-UHFFFAOYSA-N
XLogP4.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine?
The IUPAC name of 1-[7-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine (CID 11558865) is 1-[7-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[7-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine?
The canonical SMILES for 1-[7-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine is CN1CCN(C2CCCc3ccc(-c4ccc(F)cc4)cc32)CC1.
What is the InChIKey of 1-[7-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine?
The InChIKey is GKZSQBOXXPCPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2/c1-23-11-13-24(14-12-23)21-4-2-3-17-5-6-18(15-20(17)21)16-7-9-19(22)10-8-16/h5-10,15,21H,2-4,11-14H2,1H3.
What are the key properties of 1-[7-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine?
1-[7-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine has a molecular weight of 324.44 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine is sourced from PubChem (CID 11558865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).