3-[[1-(difluoromethyl)pyrazol-4-yl]oxymethyl]piperidine

C10H15F2N3O — CID 167713436

IUPAC3-[[1-(difluoromethyl)pyrazol-4-yl]oxymethyl]piperidine
SMILESFC(F)n1cc(OCC2CCCNC2)cn1
InChIInChI=1S/C10H15F2N3O/c11-10(12)15-6-9(5-14-15)16-7-8-2-1-3-13-4-8/h5-6,8,10,13H,1-4,7H2
InChIKeyDDMKHRHQCZCJRG-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.66
Rot. Bonds4

About 3-[[1-(difluoromethyl)pyrazol-4-yl]oxymethyl]piperidine

3-[[1-(difluoromethyl)pyrazol-4-yl]oxymethyl]piperidine (PubChem CID 167713436) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-[[1-(difluoromethyl)pyrazol-4-yl]oxymethyl]piperidine.

Molecular Properties

Compound Name3-[[1-(difluoromethyl)pyrazol-4-yl]oxymethyl]piperidine
PubChem CID167713436
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name3-[[1-(difluoromethyl)pyrazol-4-yl]oxymethyl]piperidine
SMILESFC(F)n1cc(OCC2CCCNC2)cn1
InChIInChI=1S/C10H15F2N3O/c11-10(12)15-6-9(5-14-15)16-7-8-2-1-3-13-4-8/h5-6,8,10,13H,1-4,7H2
InChIKeyDDMKHRHQCZCJRG-UHFFFAOYSA-N
XLogP1.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride
CID 164576503
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole
CID 164576587
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
CID 26190720
2-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 86318074
3-[[4-(difluoromethyl)pyrazol-1-yl]methyl]piperidine
CID 84734904
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
(3S)-3-[(4-phenylphenoxy)methyl]piperidine
CID 42427138
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
(3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine
CID 165430584

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(difluoromethyl)pyrazol-4-yl]oxymethyl]piperidine?
The IUPAC name of 3-[[1-(difluoromethyl)pyrazol-4-yl]oxymethyl]piperidine (CID 167713436) is 3-[[1-(difluoromethyl)pyrazol-4-yl]oxymethyl]piperidine.
What is the SMILES notation for 3-[[1-(difluoromethyl)pyrazol-4-yl]oxymethyl]piperidine?
The canonical SMILES for 3-[[1-(difluoromethyl)pyrazol-4-yl]oxymethyl]piperidine is FC(F)n1cc(OCC2CCCNC2)cn1.
What is the InChIKey of 3-[[1-(difluoromethyl)pyrazol-4-yl]oxymethyl]piperidine?
The InChIKey is DDMKHRHQCZCJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c11-10(12)15-6-9(5-14-15)16-7-8-2-1-3-13-4-8/h5-6,8,10,13H,1-4,7H2.
What are the key properties of 3-[[1-(difluoromethyl)pyrazol-4-yl]oxymethyl]piperidine?
3-[[1-(difluoromethyl)pyrazol-4-yl]oxymethyl]piperidine has a molecular weight of 231.25 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(difluoromethyl)pyrazol-4-yl]oxymethyl]piperidine is sourced from PubChem (CID 167713436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).