4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine

C10H17N3O — CID 114608454

IUPAC4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine
SMILESCn1cc(OCC2CCNCC2)cn1
InChIInChI=1S/C10H17N3O/c1-13-7-10(6-12-13)14-8-9-2-4-11-5-3-9/h6-7,9,11H,2-5,8H2,1H3
InChIKeyCBWLPIOLGINOFQ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.80
Rot. Bonds3

About 4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine

4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine (PubChem CID 114608454) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine.

Molecular Properties

Compound Name4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine
PubChem CID114608454
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine
SMILESCn1cc(OCC2CCNCC2)cn1
InChIInChI=1S/C10H17N3O/c1-13-7-10(6-12-13)14-8-9-2-4-11-5-3-9/h6-7,9,11H,2-5,8H2,1H3
InChIKeyCBWLPIOLGINOFQ-UHFFFAOYSA-N
XLogP0.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylmethoxymethoxy)-1-methylpyrazole
CID 106931222
1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole
CID 164576587
3-[(1-methylpyrazol-4-yl)oxymethyl]thiane 1,1-dioxide
CID 117233469
4-[(3-methyltriazol-4-yl)oxymethyl]piperidine
CID 84667041
1-methyl-4-(oxolan-2-ylmethoxy)pyrazole
CID 116794075
1-methyl-N-(2-piperidin-4-ylethyl)pyrazol-4-amine
CID 103568741
4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366
4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride
CID 56831093
1-methyl-4-(oxan-2-ylmethoxy)pyrazole
CID 116793926
3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride
CID 164576503
5-(piperidin-4-ylmethoxy)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 123875025
1-methyl-4-(pyrrolidin-3-ylmethoxymethyl)pyrazole
CID 62371587

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine?
The IUPAC name of 4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine (CID 114608454) is 4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine.
What is the SMILES notation for 4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine?
The canonical SMILES for 4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine is Cn1cc(OCC2CCNCC2)cn1.
What is the InChIKey of 4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine?
The InChIKey is CBWLPIOLGINOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-7-10(6-12-13)14-8-9-2-4-11-5-3-9/h6-7,9,11H,2-5,8H2,1H3.
What are the key properties of 4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine?
4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine has a molecular weight of 195.27 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine is sourced from PubChem (CID 114608454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).