2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine

C11H19N3 — CID 54592628

IUPAC2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine
SMILESCc1cc(C)n(CC2CCCCN2)n1
InChIInChI=1S/C11H19N3/c1-9-7-10(2)14(13-9)8-11-5-3-4-6-12-11/h7,11-12H,3-6,8H2,1-2H3
InChIKeyMKEUMBYEBAKUBA-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.64
Rot. Bonds2

About 2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine

2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine (PubChem CID 54592628) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine
PubChem CID54592628
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine
SMILESCc1cc(C)n(CC2CCCCN2)n1
InChIInChI=1S/C11H19N3/c1-9-7-10(2)14(13-9)8-11-5-3-4-6-12-11/h7,11-12H,3-6,8H2,1-2H3
InChIKeyMKEUMBYEBAKUBA-UHFFFAOYSA-N
XLogP1.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine?
The IUPAC name of 2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine (CID 54592628) is 2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine.
What is the SMILES notation for 2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine?
The canonical SMILES for 2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine is Cc1cc(C)n(CC2CCCCN2)n1.
What is the InChIKey of 2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine?
The InChIKey is MKEUMBYEBAKUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-7-10(2)14(13-9)8-11-5-3-4-6-12-11/h7,11-12H,3-6,8H2,1-2H3.
What are the key properties of 2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine?
2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine has a molecular weight of 193.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine is sourced from PubChem (CID 54592628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).