2-(1-ethylpyrazol-4-yl)-2-(4-methoxypiperidin-1-yl)ethanamine

C13H24N4O — CID 103569451

IUPAC2-(1-ethylpyrazol-4-yl)-2-(4-methoxypiperidin-1-yl)ethanamine
SMILESCCn1cc(C(CN)N2CCC(OC)CC2)cn1
InChIInChI=1S/C13H24N4O/c1-3-17-10-11(9-15-17)13(8-14)16-6-4-12(18-2)5-7-16/h9-10,12-13H,3-8,14H2,1-2H3
InChIKeyRCDSEJVUZNDZCD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.01
Rot. Bonds5

About 2-(1-ethylpyrazol-4-yl)-2-(4-methoxypiperidin-1-yl)ethanamine

2-(1-ethylpyrazol-4-yl)-2-(4-methoxypiperidin-1-yl)ethanamine (PubChem CID 103569451) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-2-(4-methoxypiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-2-(4-methoxypiperidin-1-yl)ethanamine
PubChem CID103569451
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(1-ethylpyrazol-4-yl)-2-(4-methoxypiperidin-1-yl)ethanamine
SMILESCCn1cc(C(CN)N2CCC(OC)CC2)cn1
InChIInChI=1S/C13H24N4O/c1-3-17-10-11(9-15-17)13(8-14)16-6-4-12(18-2)5-7-16/h9-10,12-13H,3-8,14H2,1-2H3
InChIKeyRCDSEJVUZNDZCD-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-2-(4-methoxypiperidin-1-yl)ethanamine?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-2-(4-methoxypiperidin-1-yl)ethanamine (CID 103569451) is 2-(1-ethylpyrazol-4-yl)-2-(4-methoxypiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-2-(4-methoxypiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-2-(4-methoxypiperidin-1-yl)ethanamine is CCn1cc(C(CN)N2CCC(OC)CC2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-2-(4-methoxypiperidin-1-yl)ethanamine?
The InChIKey is RCDSEJVUZNDZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-17-10-11(9-15-17)13(8-14)16-6-4-12(18-2)5-7-16/h9-10,12-13H,3-8,14H2,1-2H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-2-(4-methoxypiperidin-1-yl)ethanamine?
2-(1-ethylpyrazol-4-yl)-2-(4-methoxypiperidin-1-yl)ethanamine has a molecular weight of 252.36 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-2-(4-methoxypiperidin-1-yl)ethanamine is sourced from PubChem (CID 103569451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).