[(3S)-3-hydroxypiperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone

C11H20N2O2 — CID 107222989

IUPAC[(3S)-3-hydroxypiperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
SMILESCC1CNCC1C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C11H20N2O2/c1-8-5-12-6-10(8)11(15)13-4-2-3-9(14)7-13/h8-10,12,14H,2-7H2,1H3/t8?,9-,10?/m0/s1
InChIKeyCYGYJKQJQAXKKP-KYHHOPLUSA-N
MW212.29 g/mol
LogP-0.17
Rot. Bonds1

About [(3S)-3-hydroxypiperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone

[(3S)-3-hydroxypiperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone (PubChem CID 107222989) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [(3S)-3-hydroxypiperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypiperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
PubChem CID107222989
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[(3S)-3-hydroxypiperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
SMILESCC1CNCC1C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C11H20N2O2/c1-8-5-12-6-10(8)11(15)13-4-2-3-9(14)7-13/h8-10,12,14H,2-7H2,1H3/t8?,9-,10?/m0/s1
InChIKeyCYGYJKQJQAXKKP-KYHHOPLUSA-N
XLogP-0.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxypiperidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 63715081
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 103950474
(3-hydroxypiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 43415684
(3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 164657914
2-methyl-2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 83197741
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 107220773
[(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride
CID 130804817
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 79170250
[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 107222844
[(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 131113542
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 81103248
(4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 63715588

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone?
The IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone (CID 107222989) is [(3S)-3-hydroxypiperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [(3S)-3-hydroxypiperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for [(3S)-3-hydroxypiperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone is CC1CNCC1C(=O)N1CCC[C@H](O)C1.
What is the InChIKey of [(3S)-3-hydroxypiperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone?
The InChIKey is CYGYJKQJQAXKKP-KYHHOPLUSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-5-12-6-10(8)11(15)13-4-2-3-9(14)7-13/h8-10,12,14H,2-7H2,1H3/t8?,9-,10?/m0/s1.
What are the key properties of [(3S)-3-hydroxypiperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone?
[(3S)-3-hydroxypiperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone has a molecular weight of 212.29 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypiperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 107222989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).