2-(3-ethoxypiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine

C13H28N2O2 — CID 116501687

IUPAC2-(3-ethoxypiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine
SMILESCCOC1CCCN(C(CN)C(C)COC)C1
InChIInChI=1S/C13H28N2O2/c1-4-17-12-6-5-7-15(9-12)13(8-14)11(2)10-16-3/h11-13H,4-10,14H2,1-3H3
InChIKeyCHNSYTSQKVDMMO-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.10
Rot. Bonds7

About 2-(3-ethoxypiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine

2-(3-ethoxypiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine (PubChem CID 116501687) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(3-ethoxypiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(3-ethoxypiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine
PubChem CID116501687
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-(3-ethoxypiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine
SMILESCCOC1CCCN(C(CN)C(C)COC)C1
InChIInChI=1S/C13H28N2O2/c1-4-17-12-6-5-7-15(9-12)13(8-14)11(2)10-16-3/h11-13H,4-10,14H2,1-3H3
InChIKeyCHNSYTSQKVDMMO-UHFFFAOYSA-N
XLogP1.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine
CID 116501631
4-methoxy-3-methyl-2-(3-methylpyrrolidin-1-yl)butan-1-amine
CID 116501647
2-methyl-3-(3-propoxypiperidin-1-yl)butan-1-amine
CID 79414354
2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid
CID 103224650
3-ethoxy-1-pentan-3-ylpiperidine
CID 173298981
2-(3-ethoxypiperidin-1-yl)heptan-1-amine
CID 54985101
N-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine
CID 79414132
3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid
CID 64696034
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methoxy-3-methylbutan-1-amine
CID 116501833
3-(3-methoxypiperidin-1-yl)-2-methylbutan-1-amine
CID 102968184
3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 55069047
4-amino-3-(3-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide
CID 66431044

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine?
The IUPAC name of 2-(3-ethoxypiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine (CID 116501687) is 2-(3-ethoxypiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 2-(3-ethoxypiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 2-(3-ethoxypiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine is CCOC1CCCN(C(CN)C(C)COC)C1.
What is the InChIKey of 2-(3-ethoxypiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine?
The InChIKey is CHNSYTSQKVDMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-17-12-6-5-7-15(9-12)13(8-14)11(2)10-16-3/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 2-(3-ethoxypiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine?
2-(3-ethoxypiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 116501687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).