2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one

C18H22N2O — CID 82262999

IUPAC2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one
SMILESCC(CN1CCNCC1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C18H22N2O/c1-14(13-20-11-9-19-10-12-20)18(21)17-8-4-6-15-5-2-3-7-16(15)17/h2-8,14,19H,9-13H2,1H3
InChIKeyYKIFJYQPQSREFZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.56
Rot. Bonds4

About 2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one

2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one (PubChem CID 82262999) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one
PubChem CID82262999
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one
SMILESCC(CN1CCNCC1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C18H22N2O/c1-14(13-20-11-9-19-10-12-20)18(21)17-8-4-6-15-5-2-3-7-16(15)17/h2-8,14,19H,9-13H2,1H3
InChIKeyYKIFJYQPQSREFZ-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-naphthalen-1-ylpropyl)piperazine
CID 116964774
1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 116924027
2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266153
1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266429
1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82264142
1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266405
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 70229346
1-(5-chloro-2-methylsulfanylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82264911
1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 10037066
4-amino-2-methyl-1-naphthalen-1-ylbutan-1-one
CID 116595056
1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266866
1,4-diazepan-1-yl(naphthalen-1-yl)methanone
CID 18933042

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one (CID 82262999) is 2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one is CC(CN1CCNCC1)C(=O)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one?
The InChIKey is YKIFJYQPQSREFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14(13-20-11-9-19-10-12-20)18(21)17-8-4-6-15-5-2-3-7-16(15)17/h2-8,14,19H,9-13H2,1H3.
What are the key properties of 2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one?
2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one has a molecular weight of 282.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82262999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).