2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine

C13H24N4O — CID 79584518

IUPAC2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine
SMILESCOCCN1CCCC(N)C1c1cnn(C)c1C
InChIInChI=1S/C13H24N4O/c1-10-11(9-15-16(10)2)13-12(14)5-4-6-17(13)7-8-18-3/h9,12-13H,4-8,14H2,1-3H3
InChIKeyFQFLQPREUSIMSW-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.84
Rot. Bonds4

About 2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine

2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine (PubChem CID 79584518) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine
PubChem CID79584518
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine
SMILESCOCCN1CCCC(N)C1c1cnn(C)c1C
InChIInChI=1S/C13H24N4O/c1-10-11(9-15-16(10)2)13-12(14)5-4-6-17(13)7-8-18-3/h9,12-13H,4-8,14H2,1-3H3
InChIKeyFQFLQPREUSIMSW-UHFFFAOYSA-N
XLogP0.84
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine (CID 79584518) is 2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine is COCCN1CCCC(N)C1c1cnn(C)c1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine?
The InChIKey is FQFLQPREUSIMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10-11(9-15-16(10)2)13-12(14)5-4-6-17(13)7-8-18-3/h9,12-13H,4-8,14H2,1-3H3.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine?
2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine has a molecular weight of 252.36 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine is sourced from PubChem (CID 79584518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).