1-[7-(deuteriomethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine;ethane

C17H28N2O — CID 91603209

IUPAC1-[7-(deuteriomethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine;ethane
SMILESCC.[2H]COc1ccc2c(c1)C(N1CCNCC1)CCC2
InChIInChI=1S/C15H22N2O.C2H6/c1-18-13-6-5-12-3-2-4-15(14(12)11-13)17-9-7-16-8-10-17;1-2/h5-6,11,15-16H,2-4,7-10H2,1H3;1-2H3/i1D;
InChIKeyXCDLQQJCSTZRNZ-RWQOXAPSSA-N
MW277.43 g/mol
LogP3.00
Rot. Bonds3

About 1-[7-(deuteriomethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine;ethane

1-[7-(deuteriomethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine;ethane (PubChem CID 91603209) has the molecular formula C17H28N2O and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-[7-(deuteriomethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine;ethane.

Molecular Properties

Compound Name1-[7-(deuteriomethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine;ethane
PubChem CID91603209
Molecular FormulaC17H28N2O
Molecular Weight277.43 g/mol
Exact Mass277.23
IUPAC Name1-[7-(deuteriomethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine;ethane
SMILESCC.[2H]COc1ccc2c(c1)C(N1CCNCC1)CCC2
InChIInChI=1S/C15H22N2O.C2H6/c1-18-13-6-5-12-3-2-4-15(14(12)11-13)17-9-7-16-8-10-17;1-2/h5-6,11,15-16H,2-4,7-10H2,1H3;1-2H3/i1D;
InChIKeyXCDLQQJCSTZRNZ-RWQOXAPSSA-N
XLogP3.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine
CID 54914447
(4aS,7aS)-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678980
[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine
CID 79248149
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316741
1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
CID 103975778
9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole
CID 23456506
ethane;2-[[8-(4-phosphanylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethanamine
CID 90811726
2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine
CID 79234770
N-(diaminomethylidene)-8-piperazin-1-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide;trihydrochloride
CID 67337955
1-[(1S)-2,3-dihydro-1H-inden-1-yl]piperazine
CID 30634298
1-methyl-4-[7-(1,1,2,2-tetrafluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine
CID 87924366
[4-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)morpholin-2-yl]methanamine
CID 114398008

Frequently Asked Questions

What is the IUPAC name of 1-[7-(deuteriomethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine;ethane?
The IUPAC name of 1-[7-(deuteriomethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine;ethane (CID 91603209) is 1-[7-(deuteriomethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine;ethane.
What is the SMILES notation for 1-[7-(deuteriomethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine;ethane?
The canonical SMILES for 1-[7-(deuteriomethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine;ethane is CC.[2H]COc1ccc2c(c1)C(N1CCNCC1)CCC2.
What is the InChIKey of 1-[7-(deuteriomethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine;ethane?
The InChIKey is XCDLQQJCSTZRNZ-RWQOXAPSSA-N. The full InChI is InChI=1S/C15H22N2O.C2H6/c1-18-13-6-5-12-3-2-4-15(14(12)11-13)17-9-7-16-8-10-17;1-2/h5-6,11,15-16H,2-4,7-10H2,1H3;1-2H3/i1D;.
What are the key properties of 1-[7-(deuteriomethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine;ethane?
1-[7-(deuteriomethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine;ethane has a molecular weight of 277.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(deuteriomethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine;ethane is sourced from PubChem (CID 91603209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).