1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylpiperazine

C17H26N2O — CID 64979039

IUPAC1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylpiperazine
SMILESCOc1ccc2c(c1)CCCC2N1CC(C)NCC1C
InChIInChI=1S/C17H26N2O/c1-12-11-19(13(2)10-18-12)17-6-4-5-14-9-15(20-3)7-8-16(14)17/h7-9,12-13,17-18H,4-6,10-11H2,1-3H3
InChIKeyQJESUYKYWPWOQE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.75
Rot. Bonds2

About 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylpiperazine

1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylpiperazine (PubChem CID 64979039) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylpiperazine
PubChem CID64979039
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylpiperazine
SMILESCOc1ccc2c(c1)CCCC2N1CC(C)NCC1C
InChIInChI=1S/C17H26N2O/c1-12-11-19(13(2)10-18-12)17-6-4-5-14-9-15(20-3)7-8-16(14)17/h7-9,12-13,17-18H,4-6,10-11H2,1-3H3
InChIKeyQJESUYKYWPWOQE-UHFFFAOYSA-N
XLogP2.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,5-dimethylpiperazine
CID 79374347
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine
CID 54914447
(4aS,7aS)-6-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678805
[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperidin-2-yl]methanamine
CID 103440758
2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid
CID 65069242
9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline
CID 23261897
7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 12827785
(2S,5R)-1-(3-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443891
(2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443898
5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one
CID 23262749
6-methoxy-1,2,3,4-tetrahydronaphthalene-1-sulfonamide
CID 115000583
1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methylpiperazine
CID 115510854

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylpiperazine?
The IUPAC name of 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylpiperazine (CID 64979039) is 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylpiperazine.
What is the SMILES notation for 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylpiperazine?
The canonical SMILES for 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylpiperazine is COc1ccc2c(c1)CCCC2N1CC(C)NCC1C.
What is the InChIKey of 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylpiperazine?
The InChIKey is QJESUYKYWPWOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-11-19(13(2)10-18-12)17-6-4-5-14-9-15(20-3)7-8-16(14)17/h7-9,12-13,17-18H,4-6,10-11H2,1-3H3.
What are the key properties of 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylpiperazine?
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylpiperazine has a molecular weight of 274.41 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylpiperazine is sourced from PubChem (CID 64979039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).