N-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine

C13H28N2O2 — CID 106589294

IUPACN-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
SMILESCCNCC(COC)N1CCCC(COC)C1
InChIInChI=1S/C13H28N2O2/c1-4-14-8-13(11-17-3)15-7-5-6-12(9-15)10-16-2/h12-14H,4-11H2,1-3H3
InChIKeyWTZZFOINYFNFQF-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.97
Rot. Bonds8

About N-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine

N-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine (PubChem CID 106589294) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
PubChem CID106589294
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
SMILESCCNCC(COC)N1CCCC(COC)C1
InChIInChI=1S/C13H28N2O2/c1-4-14-8-13(11-17-3)15-7-5-6-12(9-15)10-16-2/h12-14H,4-11H2,1-3H3
InChIKeyWTZZFOINYFNFQF-UHFFFAOYSA-N
XLogP0.97
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methoxymethyl)piperidin-1-yl]-N-methylbutan-1-amine
CID 106589339
N-ethyl-2-(3-ethylpiperidin-1-yl)butan-1-amine
CID 62433974
N-ethyl-2-(3-ethylpiperidin-1-yl)pentan-1-amine
CID 83054457
N-ethyl-3-methoxy-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103503315
3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
CID 103227415
N-ethyl-3-methoxy-2-(2-methylthiomorpholin-4-yl)propan-1-amine
CID 103227271
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
N-[2-[3-(methoxymethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine
CID 106589290
3-methoxy-2-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-amine
CID 103226769
N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-amine
CID 106586663
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332
2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpentan-1-amine
CID 83055159

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine (CID 106589294) is N-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine is CCNCC(COC)N1CCCC(COC)C1.
What is the InChIKey of N-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine?
The InChIKey is WTZZFOINYFNFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-14-8-13(11-17-3)15-7-5-6-12(9-15)10-16-2/h12-14H,4-11H2,1-3H3.
What are the key properties of N-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine?
N-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 106589294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).