(E)-9-phenyl-1-piperidin-1-ylnon-2-en-1-one

C20H29NO — CID 171345519

IUPAC(E)-9-phenyl-1-piperidin-1-ylnon-2-en-1-one
SMILESO=C(/C=C/CCCCCCc1ccccc1)N1CCCCC1
InChIInChI=1S/C20H29NO/c22-20(21-17-11-6-12-18-21)16-10-4-2-1-3-7-13-19-14-8-5-9-15-19/h5,8-10,14-16H,1-4,6-7,11-13,17-18H2/b16-10+
InChIKeyYREDWVSCWRZGBE-MHWRWJLKSA-N
MW299.46 g/mol
LogP4.75
Rot. Bonds8

About (E)-9-phenyl-1-piperidin-1-ylnon-2-en-1-one

(E)-9-phenyl-1-piperidin-1-ylnon-2-en-1-one (PubChem CID 171345519) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is (E)-9-phenyl-1-piperidin-1-ylnon-2-en-1-one.

Molecular Properties

Compound Name(E)-9-phenyl-1-piperidin-1-ylnon-2-en-1-one
PubChem CID171345519
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name(E)-9-phenyl-1-piperidin-1-ylnon-2-en-1-one
SMILESO=C(/C=C/CCCCCCc1ccccc1)N1CCCCC1
InChIInChI=1S/C20H29NO/c22-20(21-17-11-6-12-18-21)16-10-4-2-1-3-7-13-19-14-8-5-9-15-19/h5,8-10,14-16H,1-4,6-7,11-13,17-18H2/b16-10+
InChIKeyYREDWVSCWRZGBE-MHWRWJLKSA-N
XLogP4.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-9-phenyl-1-piperidin-1-ylnon-2-en-1-one?
The IUPAC name of (E)-9-phenyl-1-piperidin-1-ylnon-2-en-1-one (CID 171345519) is (E)-9-phenyl-1-piperidin-1-ylnon-2-en-1-one.
What is the SMILES notation for (E)-9-phenyl-1-piperidin-1-ylnon-2-en-1-one?
The canonical SMILES for (E)-9-phenyl-1-piperidin-1-ylnon-2-en-1-one is O=C(/C=C/CCCCCCc1ccccc1)N1CCCCC1.
What is the InChIKey of (E)-9-phenyl-1-piperidin-1-ylnon-2-en-1-one?
The InChIKey is YREDWVSCWRZGBE-MHWRWJLKSA-N. The full InChI is InChI=1S/C20H29NO/c22-20(21-17-11-6-12-18-21)16-10-4-2-1-3-7-13-19-14-8-5-9-15-19/h5,8-10,14-16H,1-4,6-7,11-13,17-18H2/b16-10+.
What are the key properties of (E)-9-phenyl-1-piperidin-1-ylnon-2-en-1-one?
(E)-9-phenyl-1-piperidin-1-ylnon-2-en-1-one has a molecular weight of 299.46 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-phenyl-1-piperidin-1-ylnon-2-en-1-one is sourced from PubChem (CID 171345519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).