2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one

C15H20N2O — CID 82096986

IUPAC2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1CN1CCNCC1
InChIInChI=1S/C15H20N2O/c18-15-13(11-17-9-7-16-8-10-17)6-5-12-3-1-2-4-14(12)15/h1-4,13,16H,5-11H2
InChIKeyXCYKBFGFXRYQKI-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.34
Rot. Bonds2

About 2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one

2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 82096986) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID82096986
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1CN1CCNCC1
InChIInChI=1S/C15H20N2O/c18-15-13(11-17-9-7-16-8-10-17)6-5-12-3-1-2-4-14(12)15/h1-4,13,16H,5-11H2
InChIKeyXCYKBFGFXRYQKI-UHFFFAOYSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 21444469
2-(cyclopropylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 79429212
2-propyl-3,4-dihydro-2H-naphthalen-1-one
CID 10877906
(2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 14921451
2-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 22104550
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane
CID 63772764
2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 79429583
3-[2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione
CID 91165365
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 86574848
(2S)-2-[(2-sulfanylideneimidazolidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 88917642
(2S)-2-[[methyl(prop-2-enyl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 125478186
(2S)-2-[(2-hydroxyethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 57232456

Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one (CID 82096986) is 2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccccc2CCC1CN1CCNCC1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is XCYKBFGFXRYQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-15-13(11-17-9-7-16-8-10-17)6-5-12-3-1-2-4-14(12)15/h1-4,13,16H,5-11H2.
What are the key properties of 2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 244.34 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 82096986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).