[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone

C13H22N4O2 — CID 112622199

IUPAC[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
SMILESCOC1CCN(C(=O)c2c(C)n[nH]c2C)C(CN)C1
InChIInChI=1S/C13H22N4O2/c1-8-12(9(2)16-15-8)13(18)17-5-4-11(19-3)6-10(17)7-14/h10-11H,4-7,14H2,1-3H3,(H,15,16)
InChIKeyFRDXWDDSYIAJFO-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.60
Rot. Bonds3

About [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone

[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone (PubChem CID 112622199) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
PubChem CID112622199
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
SMILESCOC1CCN(C(=O)c2c(C)n[nH]c2C)C(CN)C1
InChIInChI=1S/C13H22N4O2/c1-8-12(9(2)16-15-8)13(18)17-5-4-11(19-3)6-10(17)7-14/h10-11H,4-7,14H2,1-3H3,(H,15,16)
InChIKeyFRDXWDDSYIAJFO-UHFFFAOYSA-N
XLogP0.60
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone (CID 112622199) is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone is COC1CCN(C(=O)c2c(C)n[nH]c2C)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone?
The InChIKey is FRDXWDDSYIAJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8-12(9(2)16-15-8)13(18)17-5-4-11(19-3)6-10(17)7-14/h10-11H,4-7,14H2,1-3H3,(H,15,16).
What are the key properties of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone?
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 112622199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).