1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-pyrazol-1-ylpropan-1-one

C14H24N4O — CID 103352188

IUPAC1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCCC1CCN(C(=O)C(C)n2cccn2)C(CN)C1
InChIInChI=1S/C14H24N4O/c1-3-12-5-8-17(13(9-12)10-15)14(19)11(2)18-7-4-6-16-18/h4,6-7,11-13H,3,5,8-10,15H2,1-2H3
InChIKeyPJKQQTBOKHOBFU-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.42
Rot. Bonds4

About 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-pyrazol-1-ylpropan-1-one

1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-pyrazol-1-ylpropan-1-one (PubChem CID 103352188) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-pyrazol-1-ylpropan-1-one
PubChem CID103352188
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCCC1CCN(C(=O)C(C)n2cccn2)C(CN)C1
InChIInChI=1S/C14H24N4O/c1-3-12-5-8-17(13(9-12)10-15)14(19)11(2)18-7-4-6-16-18/h4,6-7,11-13H,3,5,8-10,15H2,1-2H3
InChIKeyPJKQQTBOKHOBFU-UHFFFAOYSA-N
XLogP1.42
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-pyrazol-1-ylpropan-1-one (CID 103352188) is 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-pyrazol-1-ylpropan-1-one is CCC1CCN(C(=O)C(C)n2cccn2)C(CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The InChIKey is PJKQQTBOKHOBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-12-5-8-17(13(9-12)10-15)14(19)11(2)18-7-4-6-16-18/h4,6-7,11-13H,3,5,8-10,15H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-pyrazol-1-ylpropan-1-one?
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-pyrazol-1-ylpropan-1-one has a molecular weight of 264.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 103352188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).