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

C25H34N2O2 — CID 10715665

IUPAC1-(2-methoxyphenyl)-4-[3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine
SMILESCOc1ccccc1N1CCN(CCC[C@H]2CCCc3c(OC)cccc32)CC1
InChIInChI=1S/C25H34N2O2/c1-28-24-14-6-10-21-20(8-5-11-22(21)24)9-7-15-26-16-18-27(19-17-26)23-12-3-4-13-25(23)29-2/h3-4,6,10,12-14,20H,5,7-9,11,15-19H2,1-2H3/t20-/m1/s1
InChIKeyINGWKGCHJJYQIB-HXUWFJFHSA-N
MW394.56 g/mol
LogP4.73
Rot. Bonds7

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

1-(2-methoxyphenyl)-4-[3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine (PubChem CID 10715665) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine
PubChem CID10715665
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name1-(2-methoxyphenyl)-4-[3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine
SMILESCOc1ccccc1N1CCN(CCC[C@H]2CCCc3c(OC)cccc32)CC1
InChIInChI=1S/C25H34N2O2/c1-28-24-14-6-10-21-20(8-5-11-22(21)24)9-7-15-26-16-18-27(19-17-26)23-12-3-4-13-25(23)29-2/h3-4,6,10,12-14,20H,5,7-9,11,15-19H2,1-2H3/t20-/m1/s1
InChIKeyINGWKGCHJJYQIB-HXUWFJFHSA-N
XLogP4.73
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine (CID 10715665) is 1-(2-methoxyphenyl)-4-[3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine is COc1ccccc1N1CCN(CCC[C@H]2CCCc3c(OC)cccc32)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine?
The InChIKey is INGWKGCHJJYQIB-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-28-24-14-6-10-21-20(8-5-11-22(21)24)9-7-15-26-16-18-27(19-17-26)23-12-3-4-13-25(23)29-2/h3-4,6,10,12-14,20H,5,7-9,11,15-19H2,1-2H3/t20-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-4-[3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine?
1-(2-methoxyphenyl)-4-[3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine has a molecular weight of 394.56 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine is sourced from PubChem (CID 10715665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).