4-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperidine

C14H23N3O — CID 122240754

IUPAC4-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperidine
SMILESc1nn(CC2CCCCO2)cc1C1CCNCC1
InChIInChI=1S/C14H23N3O/c1-2-8-18-14(3-1)11-17-10-13(9-16-17)12-4-6-15-7-5-12/h9-10,12,14-15H,1-8,11H2
InChIKeyKTKLHVWGYONYSE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.92
Rot. Bonds3

About 4-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperidine

4-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperidine (PubChem CID 122240754) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperidine
PubChem CID122240754
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperidine
SMILESc1nn(CC2CCCCO2)cc1C1CCNCC1
InChIInChI=1S/C14H23N3O/c1-2-8-18-14(3-1)11-17-10-13(9-16-17)12-4-6-15-7-5-12/h9-10,12,14-15H,1-8,11H2
InChIKeyKTKLHVWGYONYSE-UHFFFAOYSA-N
XLogP1.92
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperidine?
The IUPAC name of 4-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperidine (CID 122240754) is 4-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperidine.
What is the SMILES notation for 4-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperidine?
The canonical SMILES for 4-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperidine is c1nn(CC2CCCCO2)cc1C1CCNCC1.
What is the InChIKey of 4-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperidine?
The InChIKey is KTKLHVWGYONYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-8-18-14(3-1)11-17-10-13(9-16-17)12-4-6-15-7-5-12/h9-10,12,14-15H,1-8,11H2.
What are the key properties of 4-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperidine?
4-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperidine has a molecular weight of 249.36 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperidine is sourced from PubChem (CID 122240754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).