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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Related Compounds

5,6-Dihydro-1,2-dimethoxy-6-methyl-4H-dibenzo(de,g)quinoline
CID 821347
1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10361439
1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10385977
1-(7-Methoxynaphthalen-2-yl)piperazine
CID 44351692
1-[2-(4-Fluorophenyl)-2-(4-isopropylhexahydro-1-pyrazinyl)ethyl]-4-[4-(2-methoxy-1-naphthyl)butyl]hexahydropyrazine
CID 10098971
1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine
CID 10475634
4-(3-(1,2-Dihydro-6-methoxynaphthalen-4-yl)-n-propyl)-1-(2-methoxyphenyl)piperazine
CID 192638
4-(3-(1,2-Dihydro-8-methoxynaphthalen-4-yl)-n-propyl)-1-(2-pyridyl)piperazine
CID 192639
1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10021562
1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-(3-trifluoromethyl-phenyl)-piperazine
CID 10025711
1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-(3-trifluoromethyl-phenyl)-piperazine
CID 10025712
1-(2-Methoxy-phenyl)-4-[4-(7-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-butyl]-piperazine
CID 10070045

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).