(1-methylpyrazol-4-yl)-piperidin-1-ylmethanimine

C10H16N4 — CID 65198115

IUPAC(1-methylpyrazol-4-yl)-piperidin-1-ylmethanimine
SMILES[H]/N=C(\c1cnn(C)c1)N1CCCCC1
InChIInChI=1S/C10H16N4/c1-13-8-9(7-12-13)10(11)14-5-3-2-4-6-14/h7-8,11H,2-6H2,1H3/b11-10+
InChIKeyOEHBAXGLCUNTTE-ZHACJKMWSA-N
MW192.27 g/mol
LogP1.23
Rot. Bonds1

About (1-methylpyrazol-4-yl)-piperidin-1-ylmethanimine

(1-methylpyrazol-4-yl)-piperidin-1-ylmethanimine (PubChem CID 65198115) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-piperidin-1-ylmethanimine
PubChem CID65198115
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name(1-methylpyrazol-4-yl)-piperidin-1-ylmethanimine
SMILES[H]/N=C(\c1cnn(C)c1)N1CCCCC1
InChIInChI=1S/C10H16N4/c1-13-8-9(7-12-13)10(11)14-5-3-2-4-6-14/h7-8,11H,2-6H2,1H3/b11-10+
InChIKeyOEHBAXGLCUNTTE-ZHACJKMWSA-N
XLogP1.23
TPSA44.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-piperidin-1-ylmethanimine?
The IUPAC name of (1-methylpyrazol-4-yl)-piperidin-1-ylmethanimine (CID 65198115) is (1-methylpyrazol-4-yl)-piperidin-1-ylmethanimine.
What is the SMILES notation for (1-methylpyrazol-4-yl)-piperidin-1-ylmethanimine?
The canonical SMILES for (1-methylpyrazol-4-yl)-piperidin-1-ylmethanimine is [H]/N=C(\c1cnn(C)c1)N1CCCCC1.
What is the InChIKey of (1-methylpyrazol-4-yl)-piperidin-1-ylmethanimine?
The InChIKey is OEHBAXGLCUNTTE-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H16N4/c1-13-8-9(7-12-13)10(11)14-5-3-2-4-6-14/h7-8,11H,2-6H2,1H3/b11-10+.
What are the key properties of (1-methylpyrazol-4-yl)-piperidin-1-ylmethanimine?
(1-methylpyrazol-4-yl)-piperidin-1-ylmethanimine has a molecular weight of 192.27 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-piperidin-1-ylmethanimine is sourced from PubChem (CID 65198115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).