2-[(3-ethyl-5-methoxypyrazol-1-yl)methyl]piperidine

C12H21N3O — CID 84725324

IUPAC2-[(3-ethyl-5-methoxypyrazol-1-yl)methyl]piperidine
SMILESCCc1cc(OC)n(CC2CCCCN2)n1
InChIInChI=1S/C12H21N3O/c1-3-10-8-12(16-2)15(14-10)9-11-6-4-5-7-13-11/h8,11,13H,3-7,9H2,1-2H3
InChIKeyAKTODUYLLBSIIS-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.60
Rot. Bonds4

About 2-[(3-ethyl-5-methoxypyrazol-1-yl)methyl]piperidine

2-[(3-ethyl-5-methoxypyrazol-1-yl)methyl]piperidine (PubChem CID 84725324) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(3-ethyl-5-methoxypyrazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3-ethyl-5-methoxypyrazol-1-yl)methyl]piperidine
PubChem CID84725324
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[(3-ethyl-5-methoxypyrazol-1-yl)methyl]piperidine
SMILESCCc1cc(OC)n(CC2CCCCN2)n1
InChIInChI=1S/C12H21N3O/c1-3-10-8-12(16-2)15(14-10)9-11-6-4-5-7-13-11/h8,11,13H,3-7,9H2,1-2H3
InChIKeyAKTODUYLLBSIIS-UHFFFAOYSA-N
XLogP1.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-5-methoxypyrazol-1-yl)methyl]piperidine?
The IUPAC name of 2-[(3-ethyl-5-methoxypyrazol-1-yl)methyl]piperidine (CID 84725324) is 2-[(3-ethyl-5-methoxypyrazol-1-yl)methyl]piperidine.
What is the SMILES notation for 2-[(3-ethyl-5-methoxypyrazol-1-yl)methyl]piperidine?
The canonical SMILES for 2-[(3-ethyl-5-methoxypyrazol-1-yl)methyl]piperidine is CCc1cc(OC)n(CC2CCCCN2)n1.
What is the InChIKey of 2-[(3-ethyl-5-methoxypyrazol-1-yl)methyl]piperidine?
The InChIKey is AKTODUYLLBSIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-10-8-12(16-2)15(14-10)9-11-6-4-5-7-13-11/h8,11,13H,3-7,9H2,1-2H3.
What are the key properties of 2-[(3-ethyl-5-methoxypyrazol-1-yl)methyl]piperidine?
2-[(3-ethyl-5-methoxypyrazol-1-yl)methyl]piperidine has a molecular weight of 223.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-5-methoxypyrazol-1-yl)methyl]piperidine is sourced from PubChem (CID 84725324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).