(3R)-1-benzyl-3-ethylpiperidin-1-ium-4-one

C14H20NO+ — CID 7455436

IUPAC(3R)-1-benzyl-3-ethylpiperidin-1-ium-4-one
SMILESCC[C@@H]1C[NH+](Cc2ccccc2)CCC1=O
InChIInChI=1S/C14H19NO/c1-2-13-11-15(9-8-14(13)16)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3/p+1/t13-/m1/s1
InChIKeyJUSKDLRMHAPHCU-CYBMUJFWSA-O
MW218.32 g/mol
LogP1.07
Rot. Bonds3

About (3R)-1-benzyl-3-ethylpiperidin-1-ium-4-one

(3R)-1-benzyl-3-ethylpiperidin-1-ium-4-one (PubChem CID 7455436) has the molecular formula C14H20NO+ and a molecular weight of 218.32 g/mol. Its IUPAC name is (3R)-1-benzyl-3-ethylpiperidin-1-ium-4-one.

Molecular Properties

Compound Name(3R)-1-benzyl-3-ethylpiperidin-1-ium-4-one
PubChem CID7455436
Molecular FormulaC14H20NO+
Molecular Weight218.32 g/mol
Exact Mass218.15
IUPAC Name(3R)-1-benzyl-3-ethylpiperidin-1-ium-4-one
SMILESCC[C@@H]1C[NH+](Cc2ccccc2)CCC1=O
InChIInChI=1S/C14H19NO/c1-2-13-11-15(9-8-14(13)16)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3/p+1/t13-/m1/s1
InChIKeyJUSKDLRMHAPHCU-CYBMUJFWSA-O
XLogP1.07
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Benzyl-4-piperidone
CID 19220
N-Phenethyl-4-piperidinone
CID 96437
1-Benzyl-4-(methylamino)piperidine-4-carboxamide
CID 96411
1-Benzyl-3-methyl-4-piperidone
CID 560965
Acetoacetobenzylamide
CID 70159
1-Phenyl-1-(piperidin-2-yl)propan-2-one
CID 16102777
3-Methyl-2,6-diphenylpiperidin-4-one
CID 568924
1-Benzyl-3,5-dimethylpiperidin-4-one
CID 22278920
1-Piperidineacetamide, 4-methyl-N-(phenylmethyl)-
CID 972703
3-Methyl-1-(2-phenylethyl)piperidin-4-one
CID 580922
1-Benzyl-4-(ethylamino)piperidine-4-carboxamide
CID 70567
Propanamide, 2-methyl-N-(phenylmethyl)-
CID 94895

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-ethylpiperidin-1-ium-4-one?
The IUPAC name of (3R)-1-benzyl-3-ethylpiperidin-1-ium-4-one (CID 7455436) is (3R)-1-benzyl-3-ethylpiperidin-1-ium-4-one.
What is the SMILES notation for (3R)-1-benzyl-3-ethylpiperidin-1-ium-4-one?
The canonical SMILES for (3R)-1-benzyl-3-ethylpiperidin-1-ium-4-one is CC[C@@H]1C[NH+](Cc2ccccc2)CCC1=O.
What is the InChIKey of (3R)-1-benzyl-3-ethylpiperidin-1-ium-4-one?
The InChIKey is JUSKDLRMHAPHCU-CYBMUJFWSA-O. The full InChI is InChI=1S/C14H19NO/c1-2-13-11-15(9-8-14(13)16)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3/p+1/t13-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-ethylpiperidin-1-ium-4-one?
(3R)-1-benzyl-3-ethylpiperidin-1-ium-4-one has a molecular weight of 218.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-ethylpiperidin-1-ium-4-one is sourced from PubChem (CID 7455436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).