1-[(4-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C23H23F3N2O — CID 1378278

IUPAC1-[(4-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCOc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc12
InChIInChI=1S/C23H23F3N2O/c1-29-22-10-9-17(20-7-2-3-8-21(20)22)16-27-11-13-28(14-12-27)19-6-4-5-18(15-19)23(24,25)26/h2-10,15H,11-14,16H2,1H3
InChIKeyRCTFVFWXRMEZCM-UHFFFAOYSA-N
MW400.44 g/mol
LogP5.19
Rot. Bonds4

About 1-[(4-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[(4-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 1378278) has the molecular formula C23H23F3N2O and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-[(4-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(4-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID1378278
Molecular FormulaC23H23F3N2O
Molecular Weight400.44 g/mol
Exact Mass400.18
IUPAC Name1-[(4-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCOc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc12
InChIInChI=1S/C23H23F3N2O/c1-29-22-10-9-17(20-7-2-3-8-21(20)22)16-27-11-13-28(14-12-27)19-6-4-5-18(15-19)23(24,25)26/h2-10,15H,11-14,16H2,1H3
InChIKeyRCTFVFWXRMEZCM-UHFFFAOYSA-N
XLogP5.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(4-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 1378278) is 1-[(4-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(4-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(4-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is COc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc12.
What is the InChIKey of 1-[(4-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is RCTFVFWXRMEZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O/c1-29-22-10-9-17(20-7-2-3-8-21(20)22)16-27-11-13-28(14-12-27)19-6-4-5-18(15-19)23(24,25)26/h2-10,15H,11-14,16H2,1H3.
What are the key properties of 1-[(4-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[(4-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 400.44 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 1378278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).