3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine

C13H26N2O — CID 102963551

IUPAC3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine
SMILESCOC1CN(CC2CNCC2C)CCC1C
InChIInChI=1S/C13H26N2O/c1-10-4-5-15(9-13(10)16-3)8-12-7-14-6-11(12)2/h10-14H,4-9H2,1-3H3
InChIKeyFIPIVYQXKZEJCS-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.20
Rot. Bonds3

About 3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine

3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine (PubChem CID 102963551) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine.

Molecular Properties

Compound Name3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine
PubChem CID102963551
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine
SMILESCOC1CN(CC2CNCC2C)CCC1C
InChIInChI=1S/C13H26N2O/c1-10-4-5-15(9-13(10)16-3)8-12-7-14-6-11(12)2/h10-14H,4-9H2,1-3H3
InChIKeyFIPIVYQXKZEJCS-UHFFFAOYSA-N
XLogP1.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine
CID 164657937
3-[(4-methylpyrrolidin-3-yl)methyl]-3-azabicyclo[4.1.0]heptane
CID 164650694
3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 102963518
6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 102967513
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 102967197
1-[(4-methylpyrrolidin-3-yl)methyl]azepane
CID 63715689
2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol
CID 102969172
1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199895
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N,4,4-trimethylcyclohexan-1-amine
CID 102967140
1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol
CID 124829258
4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutan-2-amine
CID 102963557
(2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine
CID 102965393

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine?
The IUPAC name of 3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine (CID 102963551) is 3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine.
What is the SMILES notation for 3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine?
The canonical SMILES for 3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine is COC1CN(CC2CNCC2C)CCC1C.
What is the InChIKey of 3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine?
The InChIKey is FIPIVYQXKZEJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-4-5-15(9-13(10)16-3)8-12-7-14-6-11(12)2/h10-14H,4-9H2,1-3H3.
What are the key properties of 3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine?
3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine has a molecular weight of 226.36 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine is sourced from PubChem (CID 102963551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).