1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C16H22N2O — CID 82132544

IUPAC1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCCC2)N1CCNCC1
InChIInChI=1S/C16H22N2O/c19-16(18-9-7-17-8-10-18)12-13-5-6-14-3-1-2-4-15(14)11-13/h5-6,11,17H,1-4,7-10,12H2
InChIKeyOCWJQSCTXADWSV-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.54
Rot. Bonds2

About 1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 82132544) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID82132544
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCCC2)N1CCNCC1
InChIInChI=1S/C16H22N2O/c19-16(18-9-7-17-8-10-18)12-13-5-6-14-3-1-2-4-15(14)11-13/h5-6,11,17H,1-4,7-10,12H2
InChIKeyOCWJQSCTXADWSV-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone
CID 115104675
1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
CID 115104826
1-(1,4-diazepan-1-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 96669750
1-(4-methylsulfonylpiperazin-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 51252178
1-[4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801525
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110804573
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110806562
1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251957
2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178784
5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one
CID 82301093
2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone
CID 82511840
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 38496850

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 82132544) is 1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is O=C(Cc1ccc2c(c1)CCCC2)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is OCWJQSCTXADWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(18-9-7-17-8-10-18)12-13-5-6-14-3-1-2-4-15(14)11-13/h5-6,11,17H,1-4,7-10,12H2.
What are the key properties of 1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 258.36 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 82132544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).