1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-4-phenylpiperazine

C23H30N2O — CID 10569886

IUPAC1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-4-phenylpiperazine
SMILESCOc1cccc2c1CCCC2CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-26-23-12-6-10-21-19(7-5-11-22(21)23)13-14-24-15-17-25(18-16-24)20-8-3-2-4-9-20/h2-4,6,8-10,12,19H,5,7,11,13-18H2,1H3
InChIKeyJAVQDOJQALZLNZ-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.33
Rot. Bonds5

About 1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-4-phenylpiperazine

1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-4-phenylpiperazine (PubChem CID 10569886) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-4-phenylpiperazine
PubChem CID10569886
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-4-phenylpiperazine
SMILESCOc1cccc2c1CCCC2CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-26-23-12-6-10-21-19(7-5-11-22(21)23)13-14-24-15-17-25(18-16-24)20-8-3-2-4-9-20/h2-4,6,8-10,12,19H,5,7,11,13-18H2,1H3
InChIKeyJAVQDOJQALZLNZ-UHFFFAOYSA-N
XLogP4.33
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-4-(3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl)-piperazine
CID 10474335
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-Cyclohexyl-4-[3-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 11152920
4,4'-[(4-Methoxyphenyl)methylene]bis(N,N-dimethylaniline)
CID 348623
1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine
CID 10475634
19-Methoxy-5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
CID 9882594
1-(2-Methoxyphenyl)-4-[4-(3-methoxyphenyl)cyclohexyl]piperazine
CID 10091187
1-Cyclohexyl-4-[5-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-pentyl]-piperazine
CID 11292472
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-4-phenylpiperazine?
The IUPAC name of 1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-4-phenylpiperazine (CID 10569886) is 1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-4-phenylpiperazine is COc1cccc2c1CCCC2CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-4-phenylpiperazine?
The InChIKey is JAVQDOJQALZLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-26-23-12-6-10-21-19(7-5-11-22(21)23)13-14-24-15-17-25(18-16-24)20-8-3-2-4-9-20/h2-4,6,8-10,12,19H,5,7,11,13-18H2,1H3.
What are the key properties of 1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-4-phenylpiperazine?
1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-4-phenylpiperazine has a molecular weight of 350.51 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-4-phenylpiperazine is sourced from PubChem (CID 10569886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).