3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine

C13H28N2O2 — CID 103227415

IUPAC3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(COC)N1CCCC(OC)C1
InChIInChI=1S/C13H28N2O2/c1-4-7-14-9-12(11-16-2)15-8-5-6-13(10-15)17-3/h12-14H,4-11H2,1-3H3
InChIKeyGSPGBMAACSCAMW-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.11
Rot. Bonds8

About 3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine

3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine (PubChem CID 103227415) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
PubChem CID103227415
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(COC)N1CCCC(OC)C1
InChIInChI=1S/C13H28N2O2/c1-4-7-14-9-12(11-16-2)15-8-5-6-13(10-15)17-3/h12-14H,4-11H2,1-3H3
InChIKeyGSPGBMAACSCAMW-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
CID 102968134
1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 103226498
N,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine
CID 103226506
2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103226580
2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103225146
N-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 106589294
3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 103226527
3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine
CID 102965543
3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 103225133
N-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine
CID 102968396
3-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 102968159
2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103226962

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine (CID 103227415) is 3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine is CCCNCC(COC)N1CCCC(OC)C1.
What is the InChIKey of 3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine?
The InChIKey is GSPGBMAACSCAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-7-14-9-12(11-16-2)15-8-5-6-13(10-15)17-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine?
3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 103227415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).