1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C25H29F3N2O — CID 10025712

IUPAC1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCOc1cccc2c1CCC=C2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C25H29F3N2O/c1-31-24-12-4-10-22-19(6-2-11-23(22)24)7-5-13-29-14-16-30(17-15-29)21-9-3-8-20(18-21)25(26,27)28/h3-4,6,8-10,12,18H,2,5,7,11,13-17H2,1H3
InChIKeySYKZOUNLFRNQDR-UHFFFAOYSA-N
MW430.51 g/mol
LogP5.65
Rot. Bonds6

About 1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 10025712) has the molecular formula C25H29F3N2O and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID10025712
Molecular FormulaC25H29F3N2O
Molecular Weight430.51 g/mol
Exact Mass430.22
IUPAC Name1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCOc1cccc2c1CCC=C2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C25H29F3N2O/c1-31-24-12-4-10-22-19(6-2-11-23(22)24)7-5-13-29-14-16-30(17-15-29)21-9-3-8-20(18-21)25(26,27)28/h3-4,6,8-10,12,18H,2,5,7,11,13-17H2,1H3
InChIKeySYKZOUNLFRNQDR-UHFFFAOYSA-N
XLogP5.65
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 10025712) is 1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine is COc1cccc2c1CCC=C2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is SYKZOUNLFRNQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N2O/c1-31-24-12-4-10-22-19(6-2-11-23(22)24)7-5-13-29-14-16-30(17-15-29)21-9-3-8-20(18-21)25(26,27)28/h3-4,6,8-10,12,18H,2,5,7,11,13-17H2,1H3.
What are the key properties of 1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 430.51 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 10025712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).