1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine

C18H28N2O — CID 10684798

IUPAC1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
SMILESCOc1cccc2c1CCCC2CCCN1CCNCC1
InChIInChI=1S/C18H28N2O/c1-21-18-9-3-7-16-15(5-2-8-17(16)18)6-4-12-20-13-10-19-11-14-20/h3,7,9,15,19H,2,4-6,8,10-14H2,1H3
InChIKeyUKIXOQAGPABIPX-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.80
Rot. Bonds5

About 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine

1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (PubChem CID 10684798) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
PubChem CID10684798
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
SMILESCOc1cccc2c1CCCC2CCCN1CCNCC1
InChIInChI=1S/C18H28N2O/c1-21-18-9-3-7-16-15(5-2-8-17(16)18)6-4-12-20-13-10-19-11-14-20/h3,7,9,15,19H,2,4-6,8,10-14H2,1H3
InChIKeyUKIXOQAGPABIPX-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine
CID 44598136
1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine
CID 11428679
1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone
CID 10830296
1-cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexyl]piperazine
CID 11281378
1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-naphthalen-2-ylpiperazine;dihydrochloride
CID 11591218
[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10535755
1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane
CID 141010316
1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 72942489
1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine
CID 10774628
3-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]pentanediamide
CID 44598774
1-(azidomethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 14437044
(2R)-2-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine
CID 178102515

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine?
The IUPAC name of 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (CID 10684798) is 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine.
What is the SMILES notation for 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine?
The canonical SMILES for 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine is COc1cccc2c1CCCC2CCCN1CCNCC1.
What is the InChIKey of 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine?
The InChIKey is UKIXOQAGPABIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-21-18-9-3-7-16-15(5-2-8-17(16)18)6-4-12-20-13-10-19-11-14-20/h3,7,9,15,19H,2,4-6,8,10-14H2,1H3.
What are the key properties of 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine?
1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine has a molecular weight of 288.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine is sourced from PubChem (CID 10684798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).