1-[(2-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C23H23F3N2O — CID 2845584

IUPAC1-[(2-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCOc1ccc2ccccc2c1CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H23F3N2O/c1-29-22-10-9-17-5-2-3-8-20(17)21(22)16-27-11-13-28(14-12-27)19-7-4-6-18(15-19)23(24,25)26/h2-10,15H,11-14,16H2,1H3
InChIKeyTWZACMGQDJQLNG-UHFFFAOYSA-N
MW400.44 g/mol
LogP5.19
Rot. Bonds4

About 1-[(2-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[(2-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 2845584) has the molecular formula C23H23F3N2O and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-[(2-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(2-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID2845584
Molecular FormulaC23H23F3N2O
Molecular Weight400.44 g/mol
Exact Mass400.18
IUPAC Name1-[(2-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCOc1ccc2ccccc2c1CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H23F3N2O/c1-29-22-10-9-17-5-2-3-8-20(17)21(22)16-27-11-13-28(14-12-27)19-7-4-6-18(15-19)23(24,25)26/h2-10,15H,11-14,16H2,1H3
InChIKeyTWZACMGQDJQLNG-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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Related Compounds

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-[(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-(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
1-(2-Methoxy-phenyl)-4-[3-(7-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10092041
1-[4-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-butyl]-4-(2-methoxy-phenyl)-piperazine
CID 10250792
1-[3-[4-[3-(Trifluoromethyl)phenyl]piperazino]propyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 10342773
1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10406366

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(2-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 2845584) is 1-[(2-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(2-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(2-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is COc1ccc2ccccc2c1CN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[(2-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is TWZACMGQDJQLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O/c1-29-22-10-9-17-5-2-3-8-20(17)21(22)16-27-11-13-28(14-12-27)19-7-4-6-18(15-19)23(24,25)26/h2-10,15H,11-14,16H2,1H3.
What are the key properties of 1-[(2-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[(2-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-[(2-methoxynaphthalen-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 2845584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).