1-(1-benzyl-3-propan-2-ylidenepiperidin-4-yl)ethanone

C17H23NO — CID 10967144

IUPAC1-(1-benzyl-3-propan-2-ylidenepiperidin-4-yl)ethanone
SMILESCC(=O)C1CCN(Cc2ccccc2)CC1=C(C)C
InChIInChI=1S/C17H23NO/c1-13(2)17-12-18(10-9-16(17)14(3)19)11-15-7-5-4-6-8-15/h4-8,16H,9-12H2,1-3H3
InChIKeyVKUKIILLIDJBRO-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.43
Rot. Bonds3

About 1-(1-benzyl-3-propan-2-ylidenepiperidin-4-yl)ethanone

1-(1-benzyl-3-propan-2-ylidenepiperidin-4-yl)ethanone (PubChem CID 10967144) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(1-benzyl-3-propan-2-ylidenepiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzyl-3-propan-2-ylidenepiperidin-4-yl)ethanone
PubChem CID10967144
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(1-benzyl-3-propan-2-ylidenepiperidin-4-yl)ethanone
SMILESCC(=O)C1CCN(Cc2ccccc2)CC1=C(C)C
InChIInChI=1S/C17H23NO/c1-13(2)17-12-18(10-9-16(17)14(3)19)11-15-7-5-4-6-8-15/h4-8,16H,9-12H2,1-3H3
InChIKeyVKUKIILLIDJBRO-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.43
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-methylidenepiperidin-4-yl)ethanone
CID 10889700
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
1-[(3S)-1-benzylpyrrolidin-3-yl]-2-chloroethanone
CID 164769335
1-[(3R)-1-benzylpyrrolidin-3-yl]-2-methylpropan-1-one
CID 59669005
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
1-benzyl-5-hydroxyazepane-4-carboxylic acid
CID 83488362

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3-propan-2-ylidenepiperidin-4-yl)ethanone?
The IUPAC name of 1-(1-benzyl-3-propan-2-ylidenepiperidin-4-yl)ethanone (CID 10967144) is 1-(1-benzyl-3-propan-2-ylidenepiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(1-benzyl-3-propan-2-ylidenepiperidin-4-yl)ethanone?
The canonical SMILES for 1-(1-benzyl-3-propan-2-ylidenepiperidin-4-yl)ethanone is CC(=O)C1CCN(Cc2ccccc2)CC1=C(C)C.
What is the InChIKey of 1-(1-benzyl-3-propan-2-ylidenepiperidin-4-yl)ethanone?
The InChIKey is VKUKIILLIDJBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-13(2)17-12-18(10-9-16(17)14(3)19)11-15-7-5-4-6-8-15/h4-8,16H,9-12H2,1-3H3.
What are the key properties of 1-(1-benzyl-3-propan-2-ylidenepiperidin-4-yl)ethanone?
1-(1-benzyl-3-propan-2-ylidenepiperidin-4-yl)ethanone has a molecular weight of 257.38 g/mol, XLogP of 3.43, 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-propan-2-ylidenepiperidin-4-yl)ethanone is sourced from PubChem (CID 10967144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).