1-[(2-ethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine

C12H22N4 — CID 114556413

IUPAC1-[(2-ethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine
SMILESCCn1nccc1CN1CC(C)CC(N)C1
InChIInChI=1S/C12H22N4/c1-3-16-12(4-5-14-16)9-15-7-10(2)6-11(13)8-15/h4-5,10-11H,3,6-9,13H2,1-2H3
InChIKeyRIBINAUUEHLTEV-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.07
Rot. Bonds3

About 1-[(2-ethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine

1-[(2-ethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine (PubChem CID 114556413) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-[(2-ethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(2-ethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine
PubChem CID114556413
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-[(2-ethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine
SMILESCCn1nccc1CN1CC(C)CC(N)C1
InChIInChI=1S/C12H22N4/c1-3-16-12(4-5-14-16)9-15-7-10(2)6-11(13)8-15/h4-5,10-11H,3,6-9,13H2,1-2H3
InChIKeyRIBINAUUEHLTEV-UHFFFAOYSA-N
XLogP1.07
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine?
The IUPAC name of 1-[(2-ethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine (CID 114556413) is 1-[(2-ethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-[(2-ethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine?
The canonical SMILES for 1-[(2-ethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine is CCn1nccc1CN1CC(C)CC(N)C1.
What is the InChIKey of 1-[(2-ethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine?
The InChIKey is RIBINAUUEHLTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-16-12(4-5-14-16)9-15-7-10(2)6-11(13)8-15/h4-5,10-11H,3,6-9,13H2,1-2H3.
What are the key properties of 1-[(2-ethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine?
1-[(2-ethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine has a molecular weight of 222.34 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine is sourced from PubChem (CID 114556413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).