1-[4-(methoxymethyl)-1,5-dimethylpyrazol-3-yl]piperidine

C12H21N3O — CID 172796339

IUPAC1-[4-(methoxymethyl)-1,5-dimethylpyrazol-3-yl]piperidine
SMILESCOCc1c(N2CCCCC2)nn(C)c1C
InChIInChI=1S/C12H21N3O/c1-10-11(9-16-3)12(13-14(10)2)15-7-5-4-6-8-15/h4-9H2,1-3H3
InChIKeyQGDUVHLXPXETNA-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.87
Rot. Bonds3

About 1-[4-(methoxymethyl)-1,5-dimethylpyrazol-3-yl]piperidine

1-[4-(methoxymethyl)-1,5-dimethylpyrazol-3-yl]piperidine (PubChem CID 172796339) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-1,5-dimethylpyrazol-3-yl]piperidine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-1,5-dimethylpyrazol-3-yl]piperidine
PubChem CID172796339
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[4-(methoxymethyl)-1,5-dimethylpyrazol-3-yl]piperidine
SMILESCOCc1c(N2CCCCC2)nn(C)c1C
InChIInChI=1S/C12H21N3O/c1-10-11(9-16-3)12(13-14(10)2)15-7-5-4-6-8-15/h4-9H2,1-3H3
InChIKeyQGDUVHLXPXETNA-UHFFFAOYSA-N
XLogP1.87
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-1,5-dimethylpyrazol-3-yl]piperidine?
The IUPAC name of 1-[4-(methoxymethyl)-1,5-dimethylpyrazol-3-yl]piperidine (CID 172796339) is 1-[4-(methoxymethyl)-1,5-dimethylpyrazol-3-yl]piperidine.
What is the SMILES notation for 1-[4-(methoxymethyl)-1,5-dimethylpyrazol-3-yl]piperidine?
The canonical SMILES for 1-[4-(methoxymethyl)-1,5-dimethylpyrazol-3-yl]piperidine is COCc1c(N2CCCCC2)nn(C)c1C.
What is the InChIKey of 1-[4-(methoxymethyl)-1,5-dimethylpyrazol-3-yl]piperidine?
The InChIKey is QGDUVHLXPXETNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-11(9-16-3)12(13-14(10)2)15-7-5-4-6-8-15/h4-9H2,1-3H3.
What are the key properties of 1-[4-(methoxymethyl)-1,5-dimethylpyrazol-3-yl]piperidine?
1-[4-(methoxymethyl)-1,5-dimethylpyrazol-3-yl]piperidine has a molecular weight of 223.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-1,5-dimethylpyrazol-3-yl]piperidine is sourced from PubChem (CID 172796339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).