1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one

C26H34N2O2 — CID 159724836

IUPAC1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one
SMILESCC1(C)CN(Cc2ccccc2)CCC1=O.O=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19NO.C12H15NO/c1-14(2)11-15(9-8-13(14)16)10-12-6-4-3-5-7-12;14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h3-7H,8-11H2,1-2H3;1-5H,6-10H2
InChIKeyNAMQTTJQPZIDME-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.34
Rot. Bonds4

About 1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one

1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one (PubChem CID 159724836) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one.

Molecular Properties

Compound Name1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one
PubChem CID159724836
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one
SMILESCC1(C)CN(Cc2ccccc2)CCC1=O.O=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19NO.C12H15NO/c1-14(2)11-15(9-8-13(14)16)10-12-6-4-3-5-7-12;14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h3-7H,8-11H2,1-2H3;1-5H,6-10H2
InChIKeyNAMQTTJQPZIDME-UHFFFAOYSA-N
XLogP4.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzylpiperidin-4-one;butane
CID 70571840
1-benzyl-3,3-dimethoxypiperidin-4-one
CID 66780961
1-benzyl-3,3-difluoropiperidin-4-one;hydrate
CID 138393770
1-benzyl-3-methyl-3-(3-oxobutyl)piperidin-4-one
CID 67096752
1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one
CID 69094065
magnesium;1-benzyl-3-methylpyrrolidin-3-ol;1-benzylpyrrolidin-3-one;carbanide;bromide
CID 158554768
1-[(4-ethylphenyl)methyl]piperidin-4-one
CID 11959577
benzyl carbonochloridate;1-benzylpiperidin-4-one;ethane
CID 90736428
2-benzyl-8a-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one
CID 23366884
1-benzyl-4-oxo-3-(3-oxobutyl)piperidine-3-carboxylic acid
CID 100959474
1-benzyl-1-methylpiperidin-1-ium-4-one;1-benzylpiperidin-4-one;iodomethane;iodide
CID 158321845
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one?
The IUPAC name of 1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one (CID 159724836) is 1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one.
What is the SMILES notation for 1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one?
The canonical SMILES for 1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one is CC1(C)CN(Cc2ccccc2)CCC1=O.O=C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one?
The InChIKey is NAMQTTJQPZIDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C12H15NO/c1-14(2)11-15(9-8-13(14)16)10-12-6-4-3-5-7-12;14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h3-7H,8-11H2,1-2H3;1-5H,6-10H2.
What are the key properties of 1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one?
1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one has a molecular weight of 406.57 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one is sourced from PubChem (CID 159724836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).