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

C12H21N3O — CID 99841285

IUPAC1-[2-(1,5-dimethylpyrazol-3-yl)oxyethyl]piperidine
SMILESCc1cc(OCCN2CCCCC2)nn1C
InChIInChI=1S/C12H21N3O/c1-11-10-12(13-14(11)2)16-9-8-15-6-4-3-5-7-15/h10H,3-9H2,1-2H3
InChIKeyTWYGDQPMZYFVMD-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.59
Rot. Bonds4

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

1-[2-(1,5-dimethylpyrazol-3-yl)oxyethyl]piperidine (PubChem CID 99841285) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-(1,5-dimethylpyrazol-3-yl)oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-(1,5-dimethylpyrazol-3-yl)oxyethyl]piperidine
PubChem CID99841285
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[2-(1,5-dimethylpyrazol-3-yl)oxyethyl]piperidine
SMILESCc1cc(OCCN2CCCCC2)nn1C
InChIInChI=1S/C12H21N3O/c1-11-10-12(13-14(11)2)16-9-8-15-6-4-3-5-7-15/h10H,3-9H2,1-2H3
InChIKeyTWYGDQPMZYFVMD-UHFFFAOYSA-N
XLogP1.59
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,5-dimethylpyrazol-3-yl)oxyethyl]piperidine?
The IUPAC name of 1-[2-(1,5-dimethylpyrazol-3-yl)oxyethyl]piperidine (CID 99841285) is 1-[2-(1,5-dimethylpyrazol-3-yl)oxyethyl]piperidine.
What is the SMILES notation for 1-[2-(1,5-dimethylpyrazol-3-yl)oxyethyl]piperidine?
The canonical SMILES for 1-[2-(1,5-dimethylpyrazol-3-yl)oxyethyl]piperidine is Cc1cc(OCCN2CCCCC2)nn1C.
What is the InChIKey of 1-[2-(1,5-dimethylpyrazol-3-yl)oxyethyl]piperidine?
The InChIKey is TWYGDQPMZYFVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11-10-12(13-14(11)2)16-9-8-15-6-4-3-5-7-15/h10H,3-9H2,1-2H3.
What are the key properties of 1-[2-(1,5-dimethylpyrazol-3-yl)oxyethyl]piperidine?
1-[2-(1,5-dimethylpyrazol-3-yl)oxyethyl]piperidine has a molecular weight of 223.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,5-dimethylpyrazol-3-yl)oxyethyl]piperidine is sourced from PubChem (CID 99841285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).