(3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine

C12H24N2O — CID 66580780

IUPAC(3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine
SMILESCOC1CN(CCN2CCC[C@H](C)C2)C1
InChIInChI=1S/C12H24N2O/c1-11-4-3-5-13(8-11)6-7-14-9-12(10-14)15-2/h11-12H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyCUYNWGXIROSWNG-NSHDSACASA-N
MW212.34 g/mol
LogP1.05
Rot. Bonds4

About (3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine

(3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine (PubChem CID 66580780) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine
PubChem CID66580780
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine
SMILESCOC1CN(CCN2CCC[C@H](C)C2)C1
InChIInChI=1S/C12H24N2O/c1-11-4-3-5-13(8-11)6-7-14-9-12(10-14)15-2/h11-12H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyCUYNWGXIROSWNG-NSHDSACASA-N
XLogP1.05
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine 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

ethane;3-methyl-1-propylpiperidine
CID 156729460
3-methyl-1-propylpiperidine;propane
CID 145147959
1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperidine
CID 77147850
1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine
CID 102963901
1-(3-fluoropropyl)-3-methylpiperidine
CID 127497514
1-(3,3-difluoropropyl)-3-methylpiperidine
CID 176946116
1-butyl-3-methylpiperidine;ethane
CID 143349503
N-(2-methoxyethyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 62575106
3-methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 77147847
ethane;1-ethyl-3-methylpiperidine
CID 91361629
1-heptyl-3-methylpiperidine;methanesulfonic acid
CID 175583555
methyl 2-amino-4-(3-methylpiperidin-1-yl)butanoate
CID 63028190

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine?
The IUPAC name of (3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine (CID 66580780) is (3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine.
What is the SMILES notation for (3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine?
The canonical SMILES for (3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine is COC1CN(CCN2CCC[C@H](C)C2)C1.
What is the InChIKey of (3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine?
The InChIKey is CUYNWGXIROSWNG-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2O/c1-11-4-3-5-13(8-11)6-7-14-9-12(10-14)15-2/h11-12H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine?
(3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine has a molecular weight of 212.34 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine is sourced from PubChem (CID 66580780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).