1-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-4-methylpiperazine

C18H28N2O2 — CID 161491194

IUPAC1-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-4-methylpiperazine
SMILESCOc1cc2c(cc1OC)C(CN1CCN(C)CC1)CCC2
InChIInChI=1S/C18H28N2O2/c1-19-7-9-20(10-8-19)13-15-6-4-5-14-11-17(21-2)18(22-3)12-16(14)15/h11-12,15H,4-10,13H2,1-3H3
InChIKeyZYWKBELDXUMKID-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.37
Rot. Bonds4

About 1-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-4-methylpiperazine

1-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-4-methylpiperazine (PubChem CID 161491194) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-4-methylpiperazine
PubChem CID161491194
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-4-methylpiperazine
SMILESCOc1cc2c(cc1OC)C(CN1CCN(C)CC1)CCC2
InChIInChI=1S/C18H28N2O2/c1-19-7-9-20(10-8-19)13-15-6-4-5-14-11-17(21-2)18(22-3)12-16(14)15/h11-12,15H,4-10,13H2,1-3H3
InChIKeyZYWKBELDXUMKID-UHFFFAOYSA-N
XLogP2.37
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
(2R)-2-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine
CID 178102587
6,7-dimethoxy-1-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 68647970
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone
CID 25146025
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone
CID 25145905
1-[2-(7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine
CID 12686482
CID 134998235
CID 134998235
2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one
CID 62615095
1-bromo-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 116995533
6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
CID 22646
1-cyclopropyl-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 14939993
6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 112511947

Frequently Asked Questions

What is the IUPAC name of 1-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-4-methylpiperazine (CID 161491194) is 1-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-4-methylpiperazine is COc1cc2c(cc1OC)C(CN1CCN(C)CC1)CCC2.
What is the InChIKey of 1-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-4-methylpiperazine?
The InChIKey is ZYWKBELDXUMKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-19-7-9-20(10-8-19)13-15-6-4-5-14-11-17(21-2)18(22-3)12-16(14)15/h11-12,15H,4-10,13H2,1-3H3.
What are the key properties of 1-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-4-methylpiperazine?
1-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-4-methylpiperazine has a molecular weight of 304.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-4-methylpiperazine is sourced from PubChem (CID 161491194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).