(2,4-dimethylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone

C12H22N2O2 — CID 62332502

IUPAC(2,4-dimethylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
SMILESCC1CCN(C(=O)C2CC(O)CN2)C(C)C1
InChIInChI=1S/C12H22N2O2/c1-8-3-4-14(9(2)5-8)12(16)11-6-10(15)7-13-11/h8-11,13,15H,3-7H2,1-2H3
InChIKeyFTSONADPIPYDDP-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.36
Rot. Bonds1

About (2,4-dimethylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone

(2,4-dimethylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone (PubChem CID 62332502) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2,4-dimethylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
PubChem CID62332502
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2,4-dimethylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
SMILESCC1CCN(C(=O)C2CC(O)CN2)C(C)C1
InChIInChI=1S/C12H22N2O2/c1-8-3-4-14(9(2)5-8)12(16)11-6-10(15)7-13-11/h8-11,13,15H,3-7H2,1-2H3
InChIKeyFTSONADPIPYDDP-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 130877437
1-(4-hydroxypyrrolidine-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780201
(2,4-dimethylpiperidin-1-yl)-piperazin-2-ylmethanone
CID 63103466
(2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 62331219
(4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride
CID 119888269
1-(4-hydroxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61156945
(2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81139161
(3,4-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
CID 119791817
azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943560
[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119869082
4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 43317965
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl-(4-hydroxypyrrolidin-2-yl)methanone
CID 119807396

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
The IUPAC name of (2,4-dimethylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone (CID 62332502) is (2,4-dimethylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone.
What is the SMILES notation for (2,4-dimethylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
The canonical SMILES for (2,4-dimethylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone is CC1CCN(C(=O)C2CC(O)CN2)C(C)C1.
What is the InChIKey of (2,4-dimethylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
The InChIKey is FTSONADPIPYDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8-3-4-14(9(2)5-8)12(16)11-6-10(15)7-13-11/h8-11,13,15H,3-7H2,1-2H3.
What are the key properties of (2,4-dimethylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
(2,4-dimethylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 62332502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).