1-(4-methylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one

C19H28N2O — CID 110673901

IUPAC1-(4-methylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
SMILESCN1CCN(C(=O)CCCc2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C19H28N2O/c1-20-11-13-21(14-12-20)19(22)8-4-5-16-9-10-17-6-2-3-7-18(17)15-16/h9-10,15H,2-8,11-14H2,1H3
InChIKeyGXFGAZMLOWPGLK-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.66
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one

1-(4-methylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one (PubChem CID 110673901) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
PubChem CID110673901
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-(4-methylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
SMILESCN1CCN(C(=O)CCCc2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C19H28N2O/c1-20-11-13-21(14-12-20)19(22)8-4-5-16-9-10-17-6-2-3-7-18(17)15-16/h9-10,15H,2-8,11-14H2,1H3
InChIKeyGXFGAZMLOWPGLK-UHFFFAOYSA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one
CID 64522132
1-(4-methylpiperazin-1-yl)-11-phenylundecan-1-one
CID 10545423
1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
CID 10827239
13-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)tridecan-1-one
CID 10716127
1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82132544
4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide
CID 116845082
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110429173
1-(aziridin-1-yl)-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione
CID 82117888
3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol
CID 105474725
3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 110408400
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide
CID 110605887

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one (CID 110673901) is 1-(4-methylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one is CN1CCN(C(=O)CCCc2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one?
The InChIKey is GXFGAZMLOWPGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-20-11-13-21(14-12-20)19(22)8-4-5-16-9-10-17-6-2-3-7-18(17)15-16/h9-10,15H,2-8,11-14H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one?
1-(4-methylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one has a molecular weight of 300.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one is sourced from PubChem (CID 110673901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).