1-benzylpiperidin-3-one;ethene

C14H19NO — CID 153347429

IUPAC1-benzylpiperidin-3-one;ethene
SMILESC=C.O=C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C12H15NO.C2H4/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11;1-2/h1-3,5-6H,4,7-10H2;1-2H2
InChIKeySEPNOIVIMREHNW-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.65
Rot. Bonds2

About 1-benzylpiperidin-3-one;ethene

1-benzylpiperidin-3-one;ethene (PubChem CID 153347429) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-benzylpiperidin-3-one;ethene.

Molecular Properties

Compound Name1-benzylpiperidin-3-one;ethene
PubChem CID153347429
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-benzylpiperidin-3-one;ethene
SMILESC=C.O=C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C12H15NO.C2H4/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11;1-2/h1-3,5-6H,4,7-10H2;1-2H2
InChIKeySEPNOIVIMREHNW-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
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-benzylpiperidin-3-one;hydrate
CID 144851326
1-(4-phenylbutyl)piperidin-3-one
CID 114333663
2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 142634815
(NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine
CID 55027612
1-benzylazepane
CID 10954328
3,7,11-tribenzyl-3,7,11-triazabicyclo[11.2.2]heptadeca-1(15),13,16-triene
CID 101181237
1-benzylpiperidin-4-one;butane
CID 70571840
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzylpyrrolidine;propane
CID 143692089
6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one
CID 146160543
1-benzyl-3-(hydroxymethyl)piperidin-3-ol;7-benzyl-1-oxa-7-azaspiro[2.5]octane;1-benzylpiperidin-3-one;3-(hydroxymethyl)piperidin-3-ol
CID 158546899
magnesium;1-benzyl-3-methylpyrrolidin-3-ol;1-benzylpyrrolidin-3-one;carbanide;bromide
CID 158554768

Frequently Asked Questions

What is the IUPAC name of 1-benzylpiperidin-3-one;ethene?
The IUPAC name of 1-benzylpiperidin-3-one;ethene (CID 153347429) is 1-benzylpiperidin-3-one;ethene.
What is the SMILES notation for 1-benzylpiperidin-3-one;ethene?
The canonical SMILES for 1-benzylpiperidin-3-one;ethene is C=C.O=C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzylpiperidin-3-one;ethene?
The InChIKey is SEPNOIVIMREHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C2H4/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11;1-2/h1-3,5-6H,4,7-10H2;1-2H2.
What are the key properties of 1-benzylpiperidin-3-one;ethene?
1-benzylpiperidin-3-one;ethene has a molecular weight of 217.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpiperidin-3-one;ethene is sourced from PubChem (CID 153347429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).