1-(1-benzyl-3-methylidenepiperidin-4-yl)ethanone

C15H19NO — CID 10889700

IUPAC1-(1-benzyl-3-methylidenepiperidin-4-yl)ethanone
SMILESC=C1CN(Cc2ccccc2)CCC1C(C)=O
InChIInChI=1S/C15H19NO/c1-12-10-16(9-8-15(12)13(2)17)11-14-6-4-3-5-7-14/h3-7,15H,1,8-11H2,2H3
InChIKeyDUYMXNXOFKNKCQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.65
Rot. Bonds3

About 1-(1-benzyl-3-methylidenepiperidin-4-yl)ethanone

1-(1-benzyl-3-methylidenepiperidin-4-yl)ethanone (PubChem CID 10889700) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(1-benzyl-3-methylidenepiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzyl-3-methylidenepiperidin-4-yl)ethanone
PubChem CID10889700
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(1-benzyl-3-methylidenepiperidin-4-yl)ethanone
SMILESC=C1CN(Cc2ccccc2)CCC1C(C)=O
InChIInChI=1S/C15H19NO/c1-12-10-16(9-8-15(12)13(2)17)11-14-6-4-3-5-7-14/h3-7,15H,1,8-11H2,2H3
InChIKeyDUYMXNXOFKNKCQ-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzyl-3-propan-2-ylidenepiperidin-4-yl)ethanone
CID 10967144
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
4-acetyl-1-benzylpyrrolidin-3-one
CID 73010900
1-(1-benzylpiperidin-4-yl)butane-1,3-dione
CID 82665728
acetyl-(1-benzylpiperidin-4-yl)-dimethylazanium
CID 123706639
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
methyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate
CID 15265293
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
3-acetyl-1-benzylazetidin-2-one
CID 13222627
1-benzyl-5-hydroxyazepane-4-carboxylic acid
CID 83488362

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3-methylidenepiperidin-4-yl)ethanone?
The IUPAC name of 1-(1-benzyl-3-methylidenepiperidin-4-yl)ethanone (CID 10889700) is 1-(1-benzyl-3-methylidenepiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(1-benzyl-3-methylidenepiperidin-4-yl)ethanone?
The canonical SMILES for 1-(1-benzyl-3-methylidenepiperidin-4-yl)ethanone is C=C1CN(Cc2ccccc2)CCC1C(C)=O.
What is the InChIKey of 1-(1-benzyl-3-methylidenepiperidin-4-yl)ethanone?
The InChIKey is DUYMXNXOFKNKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-12-10-16(9-8-15(12)13(2)17)11-14-6-4-3-5-7-14/h3-7,15H,1,8-11H2,2H3.
What are the key properties of 1-(1-benzyl-3-methylidenepiperidin-4-yl)ethanone?
1-(1-benzyl-3-methylidenepiperidin-4-yl)ethanone has a molecular weight of 229.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3-methylidenepiperidin-4-yl)ethanone is sourced from PubChem (CID 10889700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).