1-(4-fluorophenyl)-4-[(4-methoxynaphthalen-1-yl)methyl]piperazine

C22H23FN2O — CID 1376468

IUPAC1-(4-fluorophenyl)-4-[(4-methoxynaphthalen-1-yl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(c3ccc(F)cc3)CC2)c2ccccc12
InChIInChI=1S/C22H23FN2O/c1-26-22-11-6-17(20-4-2-3-5-21(20)22)16-24-12-14-25(15-13-24)19-9-7-18(23)8-10-19/h2-11H,12-16H2,1H3
InChIKeyIDSWAFSQGDXLSN-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.31
Rot. Bonds4

About 1-(4-fluorophenyl)-4-[(4-methoxynaphthalen-1-yl)methyl]piperazine

1-(4-fluorophenyl)-4-[(4-methoxynaphthalen-1-yl)methyl]piperazine (PubChem CID 1376468) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(4-methoxynaphthalen-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(4-methoxynaphthalen-1-yl)methyl]piperazine
PubChem CID1376468
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name1-(4-fluorophenyl)-4-[(4-methoxynaphthalen-1-yl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(c3ccc(F)cc3)CC2)c2ccccc12
InChIInChI=1S/C22H23FN2O/c1-26-22-11-6-17(20-4-2-3-5-21(20)22)16-24-12-14-25(15-13-24)19-9-7-18(23)8-10-19/h2-11H,12-16H2,1H3
InChIKeyIDSWAFSQGDXLSN-UHFFFAOYSA-N
XLogP4.31
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.31
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-[(4-methoxynaphthalen-1-yl)methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[(4-methoxynaphthalen-1-yl)methyl]piperazine (CID 1376468) is 1-(4-fluorophenyl)-4-[(4-methoxynaphthalen-1-yl)methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(4-methoxynaphthalen-1-yl)methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(4-methoxynaphthalen-1-yl)methyl]piperazine is COc1ccc(CN2CCN(c3ccc(F)cc3)CC2)c2ccccc12.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(4-methoxynaphthalen-1-yl)methyl]piperazine?
The InChIKey is IDSWAFSQGDXLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c1-26-22-11-6-17(20-4-2-3-5-21(20)22)16-24-12-14-25(15-13-24)19-9-7-18(23)8-10-19/h2-11H,12-16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[(4-methoxynaphthalen-1-yl)methyl]piperazine?
1-(4-fluorophenyl)-4-[(4-methoxynaphthalen-1-yl)methyl]piperazine has a molecular weight of 350.44 g/mol, XLogP of 4.31, 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-[(4-methoxynaphthalen-1-yl)methyl]piperazine is sourced from PubChem (CID 1376468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).