1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methylpiperazine

C16H24N2O — CID 115510854

IUPAC1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methylpiperazine
SMILESCOc1ccc2c(c1)CC(N1CCNC(C)C1)CC2
InChIInChI=1S/C16H24N2O/c1-12-11-18(8-7-17-12)15-5-3-13-4-6-16(19-2)10-14(13)9-15/h4,6,10,12,15,17H,3,5,7-9,11H2,1-2H3
InChIKeyQHBLNXBDWRBVSR-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.85
Rot. Bonds2

About 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methylpiperazine

1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methylpiperazine (PubChem CID 115510854) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methylpiperazine
PubChem CID115510854
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methylpiperazine
SMILESCOc1ccc2c(c1)CC(N1CCNC(C)C1)CC2
InChIInChI=1S/C16H24N2O/c1-12-11-18(8-7-17-12)15-5-3-13-4-6-16(19-2)10-14(13)9-15/h4,6,10,12,15,17H,3,5,7-9,11H2,1-2H3
InChIKeyQHBLNXBDWRBVSR-UHFFFAOYSA-N
XLogP1.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methylpiperazine?
The IUPAC name of 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methylpiperazine (CID 115510854) is 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methylpiperazine.
What is the SMILES notation for 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methylpiperazine?
The canonical SMILES for 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methylpiperazine is COc1ccc2c(c1)CC(N1CCNC(C)C1)CC2.
What is the InChIKey of 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methylpiperazine?
The InChIKey is QHBLNXBDWRBVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-11-18(8-7-17-12)15-5-3-13-4-6-16(19-2)10-14(13)9-15/h4,6,10,12,15,17H,3,5,7-9,11H2,1-2H3.
What are the key properties of 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methylpiperazine?
1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methylpiperazine has a molecular weight of 260.38 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methylpiperazine is sourced from PubChem (CID 115510854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).