2-methyl-3-piperidin-1-ylnaphthalene-1,4-dione

C16H17NO2 — CID 15919651

IUPAC2-methyl-3-piperidin-1-ylnaphthalene-1,4-dione
SMILESCC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H17NO2/c1-11-14(17-9-5-2-6-10-17)16(19)13-8-4-3-7-12(13)15(11)18/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyPHHMGJARQLFVTC-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.83
Rot. Bonds1

About 2-methyl-3-piperidin-1-ylnaphthalene-1,4-dione

2-methyl-3-piperidin-1-ylnaphthalene-1,4-dione (PubChem CID 15919651) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-methyl-3-piperidin-1-ylnaphthalene-1,4-dione.

Molecular Properties

Compound Name2-methyl-3-piperidin-1-ylnaphthalene-1,4-dione
PubChem CID15919651
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-methyl-3-piperidin-1-ylnaphthalene-1,4-dione
SMILESCC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H17NO2/c1-11-14(17-9-5-2-6-10-17)16(19)13-8-4-3-7-12(13)15(11)18/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyPHHMGJARQLFVTC-UHFFFAOYSA-N
XLogP2.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperidin-1-ylnaphthalene-1,4-dione?
The IUPAC name of 2-methyl-3-piperidin-1-ylnaphthalene-1,4-dione (CID 15919651) is 2-methyl-3-piperidin-1-ylnaphthalene-1,4-dione.
What is the SMILES notation for 2-methyl-3-piperidin-1-ylnaphthalene-1,4-dione?
The canonical SMILES for 2-methyl-3-piperidin-1-ylnaphthalene-1,4-dione is CC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-methyl-3-piperidin-1-ylnaphthalene-1,4-dione?
The InChIKey is PHHMGJARQLFVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-14(17-9-5-2-6-10-17)16(19)13-8-4-3-7-12(13)15(11)18/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of 2-methyl-3-piperidin-1-ylnaphthalene-1,4-dione?
2-methyl-3-piperidin-1-ylnaphthalene-1,4-dione has a molecular weight of 255.32 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-piperidin-1-ylnaphthalene-1,4-dione is sourced from PubChem (CID 15919651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).