7-ethyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-one

C16H22N2O — CID 84637454

IUPAC7-ethyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESCCc1ccc2c(c1)C(=O)C(N1CCNCC1)CC2
InChIInChI=1S/C16H22N2O/c1-2-12-3-4-13-5-6-15(16(19)14(13)11-12)18-9-7-17-8-10-18/h3-4,11,15,17H,2,5-10H2,1H3
InChIKeyKDTUGBWXEDYZOJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.65
Rot. Bonds2

About 7-ethyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-one

7-ethyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 84637454) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 7-ethyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-ethyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID84637454
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name7-ethyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESCCc1ccc2c(c1)C(=O)C(N1CCNCC1)CC2
InChIInChI=1S/C16H22N2O/c1-2-12-3-4-13-5-6-15(16(19)14(13)11-12)18-9-7-17-8-10-18/h3-4,11,15,17H,2,5-10H2,1H3
InChIKeyKDTUGBWXEDYZOJ-UHFFFAOYSA-N
XLogP1.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-ethyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-one (CID 84637454) is 7-ethyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-ethyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-ethyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-one is CCc1ccc2c(c1)C(=O)C(N1CCNCC1)CC2.
What is the InChIKey of 7-ethyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is KDTUGBWXEDYZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-12-3-4-13-5-6-15(16(19)14(13)11-12)18-9-7-17-8-10-18/h3-4,11,15,17H,2,5-10H2,1H3.
What are the key properties of 7-ethyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-one?
7-ethyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 258.36 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 84637454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).