2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone

C14H20N2O2 — CID 97165766

IUPAC2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone
SMILESO=C(COCC[C@H]1CCCCN1)c1ccccn1
InChIInChI=1S/C14H20N2O2/c17-14(13-6-2-4-9-16-13)11-18-10-7-12-5-1-3-8-15-12/h2,4,6,9,12,15H,1,3,5,7-8,10-11H2/t12-/m1/s1
InChIKeyLGOOPYOMPJXPSO-GFCCVEGCSA-N
MW248.33 g/mol
LogP1.81
Rot. Bonds6

About 2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone

2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone (PubChem CID 97165766) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone
PubChem CID97165766
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone
SMILESO=C(COCC[C@H]1CCCCN1)c1ccccn1
InChIInChI=1S/C14H20N2O2/c17-14(13-6-2-4-9-16-13)11-18-10-7-12-5-1-3-8-15-12/h2,4,6,9,12,15H,1,3,5,7-8,10-11H2/t12-/m1/s1
InChIKeyLGOOPYOMPJXPSO-GFCCVEGCSA-N
XLogP1.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-piperidin-2-yl-1-pyridin-2-ylethanone
CID 79539171
2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone
CID 97164226
6-(2-piperidin-2-ylethoxy)pyridine-2-carboxamide
CID 64589008
2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride
CID 71645321
N-cyclopropyl-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
CID 106627024
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 104955318
1-(3,4-dimethylphenyl)-2-(2-piperidin-2-ylethoxy)ethanone
CID 82353208
2-(2-piperidin-2-ylethoxy)pyridine-3-carboxamide
CID 62347441
2-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate
CID 86319343
2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone
CID 97165742
2-(1,2-difluoroprop-1-enyl)pyridine;2-propylpiperidine;hydrochloride
CID 158997723
3-(2-piperidin-2-ylethyl)azepin-2-imine;dihydrochloride
CID 141039441

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone?
The IUPAC name of 2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone (CID 97165766) is 2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone?
The canonical SMILES for 2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone is O=C(COCC[C@H]1CCCCN1)c1ccccn1.
What is the InChIKey of 2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone?
The InChIKey is LGOOPYOMPJXPSO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(13-6-2-4-9-16-13)11-18-10-7-12-5-1-3-8-15-12/h2,4,6,9,12,15H,1,3,5,7-8,10-11H2/t12-/m1/s1.
What are the key properties of 2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone?
2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone has a molecular weight of 248.33 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone is sourced from PubChem (CID 97165766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).