1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C25H31F3N2O — CID 10388096

IUPAC1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCOc1cccc2c1CCCC2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C25H31F3N2O/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/h3-4,8-10,12,18-19H,2,5-7,11,13-17H2,1H3
InChIKeySGNFTTRKPWKHRW-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.74
Rot. Bonds6

About 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 10388096) has the molecular formula C25H31F3N2O and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID10388096
Molecular FormulaC25H31F3N2O
Molecular Weight432.53 g/mol
Exact Mass432.24
IUPAC Name1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCOc1cccc2c1CCCC2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C25H31F3N2O/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/h3-4,8-10,12,18-19H,2,5-7,11,13-17H2,1H3
InChIKeySGNFTTRKPWKHRW-UHFFFAOYSA-N
XLogP5.74
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methoxy-phenyl)-4-[3-(1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10067369
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-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine
CID 10475634
1-(2-Methoxyphenyl)-4-[4-(3-methoxyphenyl)cyclohexyl]piperazine
CID 10091187
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
1-(2-Methoxy-phenyl)-4-[3-(7-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10092041

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 10388096) is 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine is COc1cccc2c1CCCC2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is SGNFTTRKPWKHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N2O/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/h3-4,8-10,12,18-19H,2,5-7,11,13-17H2,1H3.
What are the key properties of 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 432.53 g/mol, XLogP of 5.74, 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-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 10388096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).