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

C12H22N2O2 — CID 114678386

IUPAC(4-hydroxy-3-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1CN(C(=O)C2CCNC2C)CCC1O
InChIInChI=1S/C12H22N2O2/c1-8-7-14(6-4-11(8)15)12(16)10-3-5-13-9(10)2/h8-11,13,15H,3-7H2,1-2H3
InChIKeyPVJSSNBBTVGGCJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.21
Rot. Bonds1

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

(4-hydroxy-3-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone (PubChem CID 114678386) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (4-hydroxy-3-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
PubChem CID114678386
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(4-hydroxy-3-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1CN(C(=O)C2CCNC2C)CCC1O
InChIInChI=1S/C12H22N2O2/c1-8-7-14(6-4-11(8)15)12(16)10-3-5-13-9(10)2/h8-11,13,15H,3-7H2,1-2H3
InChIKeyPVJSSNBBTVGGCJ-UHFFFAOYSA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylpyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 79388150
(3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 79383471
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 79384116
(2-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 102953558
[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129380988
(4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104940916
azetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone
CID 129380965
(2-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 79388612
(2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 79388557
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
CID 129394019
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 81103357
[4-(methoxymethyl)piperidin-1-yl]-(2-methylpyrrolidin-3-yl)methanone
CID 79384209

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone (CID 114678386) is (4-hydroxy-3-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-hydroxy-3-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-hydroxy-3-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone is CC1CN(C(=O)C2CCNC2C)CCC1O.
What is the InChIKey of (4-hydroxy-3-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone?
The InChIKey is PVJSSNBBTVGGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8-7-14(6-4-11(8)15)12(16)10-3-5-13-9(10)2/h8-11,13,15H,3-7H2,1-2H3.
What are the key properties of (4-hydroxy-3-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone?
(4-hydroxy-3-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 114678386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).