[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone

C11H20N2O2 — CID 106832199

IUPAC[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
SMILESCC1CC(C(=O)N2CC[C@H](O)C2)CCN1
InChIInChI=1S/C11H20N2O2/c1-8-6-9(2-4-12-8)11(15)13-5-3-10(14)7-13/h8-10,12,14H,2-7H2,1H3/t8?,9?,10-/m0/s1
InChIKeyJJNOBJGKRRDGHI-RTBKNWGFSA-N
MW212.29 g/mol
LogP-0.03
Rot. Bonds1

About [(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone

[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone (PubChem CID 106832199) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
PubChem CID106832199
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
SMILESCC1CC(C(=O)N2CC[C@H](O)C2)CCN1
InChIInChI=1S/C11H20N2O2/c1-8-6-9(2-4-12-8)11(15)13-5-3-10(14)7-13/h8-10,12,14H,2-7H2,1H3/t8?,9?,10-/m0/s1
InChIKeyJJNOBJGKRRDGHI-RTBKNWGFSA-N
XLogP-0.03
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 ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 120625537
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
(2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 106740610
[(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 120620099
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(2-methylpiperidin-4-yl)methanone
CID 106740019
(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120639174
[(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 131113542
[(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 120636725
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;hydrochloride
CID 120637153
cyclobutyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291381
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methyloxolan-3-yl)methanone
CID 104979230
1-cyclohexyl-3-[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]urea
CID 120625762

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone?
The IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone (CID 106832199) is [(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone?
The canonical SMILES for [(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone is CC1CC(C(=O)N2CC[C@H](O)C2)CCN1.
What is the InChIKey of [(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone?
The InChIKey is JJNOBJGKRRDGHI-RTBKNWGFSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-6-9(2-4-12-8)11(15)13-5-3-10(14)7-13/h8-10,12,14H,2-7H2,1H3/t8?,9?,10-/m0/s1.
What are the key properties of [(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone?
[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone has a molecular weight of 212.29 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 106832199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).