1-[5-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone

C13H22N2O — CID 44583965

IUPAC1-[5-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1C=C([C@@H]2CCCCN2C)CCC1
InChIInChI=1S/C13H22N2O/c1-11(16)15-9-5-6-12(10-15)13-7-3-4-8-14(13)2/h10,13H,3-9H2,1-2H3/t13-/m0/s1
InChIKeySWGUPFWFYUMIGH-ZDUSSCGKSA-N
MW222.33 g/mol
LogP2.00
Rot. Bonds1

About 1-[5-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone

1-[5-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 44583965) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[5-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID44583965
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[5-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1C=C([C@@H]2CCCCN2C)CCC1
InChIInChI=1S/C13H22N2O/c1-11(16)15-9-5-6-12(10-15)13-7-3-4-8-14(13)2/h10,13H,3-9H2,1-2H3/t13-/m0/s1
InChIKeySWGUPFWFYUMIGH-ZDUSSCGKSA-N
XLogP2.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-Dihydro-5-(2R)-2-piperidinyl-1(2H)-pyridinyl)ethanone
CID 442625
N'-Methylammodendrine
CID 171125
Pyridine, 1-acetyl-1,2,3,4-tetrahydro-5-(2-piperidinyl)-
CID 108191
1-[5-[(2S)-piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone
CID 7529487
N-methylammodendrine
CID 11218329
Dehydroammodendrine
CID 91747724
(2R)-2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidine-1-carbaldehyde
CID 102247177
Ammodendrine(1+)
CID 78446220
Pyridine, 1,2,3,4-tetrahydro-1-(trifluoroacetyl)-5-[1-(trifluoroacetyl)-2-piperidinyl]-
CID 630978
1-Acetyl-1,2,3,4-tetrahydro-5-[1-(trifluoroacetyl)-2-piperidinyl]pyridine
CID 101287749
2-fluoro-1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)ethanone
CID 67149795
Pyridine, 1-acetyl-5-(1-formyl-2-piperidinyl)-1,2,3,4-tetrahydro-
CID 612613

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[5-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone (CID 44583965) is 1-[5-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[5-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[5-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1C=C([C@@H]2CCCCN2C)CCC1.
What is the InChIKey of 1-[5-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is SWGUPFWFYUMIGH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(16)15-9-5-6-12(10-15)13-7-3-4-8-14(13)2/h10,13H,3-9H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[5-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone?
1-[5-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 222.33 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 44583965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).