1-(1-methylpiperidin-4-ylidene)propan-2-one

C9H15NO — CID 15601059

IUPAC1-(1-methylpiperidin-4-ylidene)propan-2-one
SMILESCC(=O)C=C1CCN(C)CC1
InChIInChI=1S/C9H15NO/c1-8(11)7-9-3-5-10(2)6-4-9/h7H,3-6H2,1-2H3
InChIKeyVFJRGOIKHWGFAN-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.23
Rot. Bonds1

About 1-(1-methylpiperidin-4-ylidene)propan-2-one

1-(1-methylpiperidin-4-ylidene)propan-2-one (PubChem CID 15601059) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-ylidene)propan-2-one.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-ylidene)propan-2-one
PubChem CID15601059
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(1-methylpiperidin-4-ylidene)propan-2-one
SMILESCC(=O)C=C1CCN(C)CC1
InChIInChI=1S/C9H15NO/c1-8(11)7-9-3-5-10(2)6-4-9/h7H,3-6H2,1-2H3
InChIKeyVFJRGOIKHWGFAN-UHFFFAOYSA-N
XLogP1.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.23
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 1-(1-methylpiperidin-4-ylidene)propan-2-one?
The IUPAC name of 1-(1-methylpiperidin-4-ylidene)propan-2-one (CID 15601059) is 1-(1-methylpiperidin-4-ylidene)propan-2-one.
What is the SMILES notation for 1-(1-methylpiperidin-4-ylidene)propan-2-one?
The canonical SMILES for 1-(1-methylpiperidin-4-ylidene)propan-2-one is CC(=O)C=C1CCN(C)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-ylidene)propan-2-one?
The InChIKey is VFJRGOIKHWGFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(11)7-9-3-5-10(2)6-4-9/h7H,3-6H2,1-2H3.
What are the key properties of 1-(1-methylpiperidin-4-ylidene)propan-2-one?
1-(1-methylpiperidin-4-ylidene)propan-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-ylidene)propan-2-one is sourced from PubChem (CID 15601059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).