[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylpiperidin-2-yl)methanone

C12H22N2O2 — CID 107217940

IUPAC[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylpiperidin-2-yl)methanone
SMILESCC1(C(=O)N2CCC[C@H]2CO)CCCCN1
InChIInChI=1S/C12H22N2O2/c1-12(6-2-3-7-13-12)11(16)14-8-4-5-10(14)9-15/h10,13,15H,2-9H2,1H3/t10-,12?/m0/s1
InChIKeyYRUZTUNVVXDVPK-NUHJPDEHSA-N
MW226.32 g/mol
LogP0.50
Rot. Bonds2

About [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylpiperidin-2-yl)methanone

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylpiperidin-2-yl)methanone (PubChem CID 107217940) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylpiperidin-2-yl)methanone
PubChem CID107217940
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylpiperidin-2-yl)methanone
SMILESCC1(C(=O)N2CCC[C@H]2CO)CCCCN1
InChIInChI=1S/C12H22N2O2/c1-12(6-2-3-7-13-12)11(16)14-8-4-5-10(14)9-15/h10,13,15H,2-9H2,1H3/t10-,12?/m0/s1
InChIKeyYRUZTUNVVXDVPK-NUHJPDEHSA-N
XLogP0.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methylpiperidine-2-carbonyl)pyrrolidin-2-yl]acetic acid
CID 113430815
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone
CID 104597165
2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 104596985
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 107217784
azetidin-1-yl-(2-methylpiperidin-2-yl)methanone
CID 126980517
(2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 104596359
4-methyl-1-(2-methylpiperidine-2-carbonyl)piperidine-2-carboxylic acid
CID 114424707
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1-methylcyclopropyl)ethanone
CID 143121486
(4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107218110
1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile
CID 114011856
[2-(2-hydroxyethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 112748638
(3,3-dimethylpiperidin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 114084147

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylpiperidin-2-yl)methanone?
The IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylpiperidin-2-yl)methanone (CID 107217940) is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylpiperidin-2-yl)methanone.
What is the SMILES notation for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylpiperidin-2-yl)methanone?
The canonical SMILES for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylpiperidin-2-yl)methanone is CC1(C(=O)N2CCC[C@H]2CO)CCCCN1.
What is the InChIKey of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylpiperidin-2-yl)methanone?
The InChIKey is YRUZTUNVVXDVPK-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(6-2-3-7-13-12)11(16)14-8-4-5-10(14)9-15/h10,13,15H,2-9H2,1H3/t10-,12?/m0/s1.
What are the key properties of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylpiperidin-2-yl)methanone?
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylpiperidin-2-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 107217940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).