1-benzylpiperidin-4-one;butane

C16H25NO — CID 70571840

IUPAC1-benzylpiperidin-4-one;butane
SMILESCCCC.O=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C12H15NO.C4H10/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11;1-3-4-2/h1-5H,6-10H2;3-4H2,1-2H3
InChIKeyYWCOKACMNQHJRO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.66
Rot. Bonds3

About 1-benzylpiperidin-4-one;butane

1-benzylpiperidin-4-one;butane (PubChem CID 70571840) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-benzylpiperidin-4-one;butane.

Molecular Properties

Compound Name1-benzylpiperidin-4-one;butane
PubChem CID70571840
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-benzylpiperidin-4-one;butane
SMILESCCCC.O=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C12H15NO.C4H10/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11;1-3-4-2/h1-5H,6-10H2;3-4H2,1-2H3
InChIKeyYWCOKACMNQHJRO-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethylphenyl)methyl]piperidin-4-one
CID 11959577
1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one
CID 159724836
benzyl carbonochloridate;1-benzylpiperidin-4-one;ethane
CID 90736428
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
1-benzyl-1-methylpiperidin-1-ium-4-one;1-benzylpiperidin-4-one;iodomethane;methane;iodide
CID 160748401
1-benzylpyrrolidine;propane
CID 143692089
1-(pyridin-4-ylmethyl)piperidin-4-one
CID 10997815
bis(N-benzyl-1-phenylmethanamine);bis(1-butylpiperidin-4-one)
CID 70278202
1-benzyl-N-tert-butylpiperidin-4-amine;1-benzylpiperidin-4-one;methane;2-methylpropan-2-amine
CID 158278488
methoxymethane;1-(2-phenylethyl)piperidin-4-one
CID 91011743
(3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine
CID 10911293

Frequently Asked Questions

What is the IUPAC name of 1-benzylpiperidin-4-one;butane?
The IUPAC name of 1-benzylpiperidin-4-one;butane (CID 70571840) is 1-benzylpiperidin-4-one;butane.
What is the SMILES notation for 1-benzylpiperidin-4-one;butane?
The canonical SMILES for 1-benzylpiperidin-4-one;butane is CCCC.O=C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzylpiperidin-4-one;butane?
The InChIKey is YWCOKACMNQHJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C4H10/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11;1-3-4-2/h1-5H,6-10H2;3-4H2,1-2H3.
What are the key properties of 1-benzylpiperidin-4-one;butane?
1-benzylpiperidin-4-one;butane has a molecular weight of 247.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpiperidin-4-one;butane is sourced from PubChem (CID 70571840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).