2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine

C13H24N4O — CID 115291229

IUPAC2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCCOC1CCCN(CC(N)c2cnn(C)c2)C1
InChIInChI=1S/C13H24N4O/c1-3-18-12-5-4-6-17(9-12)10-13(14)11-7-15-16(2)8-11/h7-8,12-13H,3-6,9-10,14H2,1-2H3
InChIKeyWFXJFLWUZDRNGT-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.92
Rot. Bonds5

About 2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine

2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 115291229) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID115291229
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCCOC1CCCN(CC(N)c2cnn(C)c2)C1
InChIInChI=1S/C13H24N4O/c1-3-18-12-5-4-6-17(9-12)10-13(14)11-7-15-16(2)8-11/h7-8,12-13H,3-6,9-10,14H2,1-2H3
InChIKeyWFXJFLWUZDRNGT-UHFFFAOYSA-N
XLogP0.92
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethoxypiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520369
2-(4-ethylpiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291197
2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 113280007
2-(2-ethylmorpholin-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291142
4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine
CID 63322069
1-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine
CID 115291117
5-[(3-ethoxypiperidin-1-yl)methyl]pyrazin-2-amine
CID 103056225
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 113280017
2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291360
2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65138602
1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 113280074
1-[2-(bromomethyl)pentyl]-3-ethoxypiperidine
CID 65010952

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine (CID 115291229) is 2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine is CCOC1CCCN(CC(N)c2cnn(C)c2)C1.
What is the InChIKey of 2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is WFXJFLWUZDRNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-18-12-5-4-6-17(9-12)10-13(14)11-7-15-16(2)8-11/h7-8,12-13H,3-6,9-10,14H2,1-2H3.
What are the key properties of 2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine?
2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 252.36 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115291229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).