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

C12H22N4 — CID 79992666

IUPAC1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine
SMILESCc1cc(CN2CC(C)CC(N)C2)n(C)n1
InChIInChI=1S/C12H22N4/c1-9-4-11(13)7-16(6-9)8-12-5-10(2)14-15(12)3/h5,9,11H,4,6-8,13H2,1-3H3
InChIKeyXEZRUGBOTNXGJE-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.90
Rot. Bonds2

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

1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine (PubChem CID 79992666) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine
PubChem CID79992666
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine
SMILESCc1cc(CN2CC(C)CC(N)C2)n(C)n1
InChIInChI=1S/C12H22N4/c1-9-4-11(13)7-16(6-9)8-12-5-10(2)14-15(12)3/h5,9,11H,4,6-8,13H2,1-3H3
InChIKeyXEZRUGBOTNXGJE-UHFFFAOYSA-N
XLogP0.90
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine?
The IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine (CID 79992666) is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine?
The canonical SMILES for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine is Cc1cc(CN2CC(C)CC(N)C2)n(C)n1.
What is the InChIKey of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine?
The InChIKey is XEZRUGBOTNXGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9-4-11(13)7-16(6-9)8-12-5-10(2)14-15(12)3/h5,9,11H,4,6-8,13H2,1-3H3.
What are the key properties of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine?
1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine has a molecular weight of 222.34 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine is sourced from PubChem (CID 79992666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).