2-methylidene-4-piperidin-1-ylnaphthalen-1-one

C16H17NO — CID 22088203

IUPAC2-methylidene-4-piperidin-1-ylnaphthalen-1-one
SMILESC=C1C=C(N2CCCCC2)c2ccccc2C1=O
InChIInChI=1S/C16H17NO/c1-12-11-15(17-9-5-2-6-10-17)13-7-3-4-8-14(13)16(12)18/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyMTYUBYDYOAQVET-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.27
Rot. Bonds1

About 2-methylidene-4-piperidin-1-ylnaphthalen-1-one

2-methylidene-4-piperidin-1-ylnaphthalen-1-one (PubChem CID 22088203) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methylidene-4-piperidin-1-ylnaphthalen-1-one.

Molecular Properties

Compound Name2-methylidene-4-piperidin-1-ylnaphthalen-1-one
PubChem CID22088203
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-methylidene-4-piperidin-1-ylnaphthalen-1-one
SMILESC=C1C=C(N2CCCCC2)c2ccccc2C1=O
InChIInChI=1S/C16H17NO/c1-12-11-15(17-9-5-2-6-10-17)13-7-3-4-8-14(13)16(12)18/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyMTYUBYDYOAQVET-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-piperidin-1-ylnaphthalen-1-one?
The IUPAC name of 2-methylidene-4-piperidin-1-ylnaphthalen-1-one (CID 22088203) is 2-methylidene-4-piperidin-1-ylnaphthalen-1-one.
What is the SMILES notation for 2-methylidene-4-piperidin-1-ylnaphthalen-1-one?
The canonical SMILES for 2-methylidene-4-piperidin-1-ylnaphthalen-1-one is C=C1C=C(N2CCCCC2)c2ccccc2C1=O.
What is the InChIKey of 2-methylidene-4-piperidin-1-ylnaphthalen-1-one?
The InChIKey is MTYUBYDYOAQVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-11-15(17-9-5-2-6-10-17)13-7-3-4-8-14(13)16(12)18/h3-4,7-8,11H,1-2,5-6,9-10H2.
What are the key properties of 2-methylidene-4-piperidin-1-ylnaphthalen-1-one?
2-methylidene-4-piperidin-1-ylnaphthalen-1-one has a molecular weight of 239.32 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-piperidin-1-ylnaphthalen-1-one is sourced from PubChem (CID 22088203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).