(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone

C12H22N2O2 — CID 81103357

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1NCCC1C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C12H22N2O2/c1-9-10(3-6-13-9)11(15)14-7-4-12(2,16)5-8-14/h9-10,13,16H,3-8H2,1-2H3
InChIKeyFNMJHNKZVFWLAD-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.36
Rot. Bonds1

About (4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone

(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone (PubChem CID 81103357) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
PubChem CID81103357
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1NCCC1C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C12H22N2O2/c1-9-10(3-6-13-9)11(15)14-7-4-12(2,16)5-8-14/h9-10,13,16H,3-8H2,1-2H3
InChIKeyFNMJHNKZVFWLAD-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

(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-3-yl)methanone
CID 81115944
(4-hydroxy-4-methylazepan-1-yl)-(2-methylpiperidin-3-yl)methanone
CID 107404728
4-ethyl-1-(2-methylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 79384911
(2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 79388557
(2-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 102953558
(4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
CID 114424311
(3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 79383471
(2-methylpyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 79388150
(3-ethyl-3-hydroxyazetidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 107219562
N-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 79389325
3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383810
[(2R,3S)-2-methylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 97050947

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone (CID 81103357) is (4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone is CC1NCCC1C(=O)N1CCC(C)(O)CC1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone?
The InChIKey is FNMJHNKZVFWLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-10(3-6-13-9)11(15)14-7-4-12(2,16)5-8-14/h9-10,13,16H,3-8H2,1-2H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone?
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-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 (4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 81103357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).