1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine

C16H24N2O — CID 14181059

IUPAC1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine
SMILESCOc1cccc2c1CC(N1CCN(C)CC1)CC2
InChIInChI=1S/C16H24N2O/c1-17-8-10-18(11-9-17)14-7-6-13-4-3-5-16(19-2)15(13)12-14/h3-5,14H,6-12H2,1-2H3
InChIKeyPFEJWMKVHCTADW-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.80
Rot. Bonds2

About 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine

1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine (PubChem CID 14181059) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine
PubChem CID14181059
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine
SMILESCOc1cccc2c1CC(N1CCN(C)CC1)CC2
InChIInChI=1S/C16H24N2O/c1-17-8-10-18(11-9-17)14-7-6-13-4-3-5-16(19-2)15(13)12-14/h3-5,14H,6-12H2,1-2H3
InChIKeyPFEJWMKVHCTADW-UHFFFAOYSA-N
XLogP1.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine?
The IUPAC name of 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine (CID 14181059) is 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine?
The canonical SMILES for 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine is COc1cccc2c1CC(N1CCN(C)CC1)CC2.
What is the InChIKey of 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine?
The InChIKey is PFEJWMKVHCTADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-17-8-10-18(11-9-17)14-7-6-13-4-3-5-16(19-2)15(13)12-14/h3-5,14H,6-12H2,1-2H3.
What are the key properties of 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine?
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine has a molecular weight of 260.38 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine is sourced from PubChem (CID 14181059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).