2-methoxy-2-phenyl-1-piperidin-1-ylethanone

C14H19NO2 — CID 60775756

IUPAC2-methoxy-2-phenyl-1-piperidin-1-ylethanone
SMILESCOC(C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-17-13(12-8-4-2-5-9-12)14(16)15-10-6-3-7-11-15/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3
InChIKeyMNWLCUKVJFOARK-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.39
Rot. Bonds3

About 2-methoxy-2-phenyl-1-piperidin-1-ylethanone

2-methoxy-2-phenyl-1-piperidin-1-ylethanone (PubChem CID 60775756) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methoxy-2-phenyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-methoxy-2-phenyl-1-piperidin-1-ylethanone
PubChem CID60775756
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-methoxy-2-phenyl-1-piperidin-1-ylethanone
SMILESCOC(C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-17-13(12-8-4-2-5-9-12)14(16)15-10-6-3-7-11-15/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3
InChIKeyMNWLCUKVJFOARK-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methoxy-2-phenylethanone
CID 63310259
methyl 1-(2-methoxy-2-phenylacetyl)pyrrolidine-3-carboxylate
CID 112733867
4-[(2R)-2-methoxy-2-phenylacetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 138806061
N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234927
N-ethyl-4-[(2R)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234926
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 79030711
1-(3-hydroxypyrrolidin-1-yl)-2-methoxy-2-phenylethanone
CID 62918304
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 66291678
1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49404500
3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one
CID 94822095

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-methoxy-2-phenyl-1-piperidin-1-ylethanone (CID 60775756) is 2-methoxy-2-phenyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-methoxy-2-phenyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-methoxy-2-phenyl-1-piperidin-1-ylethanone is COC(C(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of 2-methoxy-2-phenyl-1-piperidin-1-ylethanone?
The InChIKey is MNWLCUKVJFOARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-13(12-8-4-2-5-9-12)14(16)15-10-6-3-7-11-15/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3.
What are the key properties of 2-methoxy-2-phenyl-1-piperidin-1-ylethanone?
2-methoxy-2-phenyl-1-piperidin-1-ylethanone has a molecular weight of 233.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 60775756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).