4-[3-[(2,4-difluorophenyl)methoxy]pyrazol-1-yl]piperidine

C15H17F2N3O — CID 164914817

IUPAC4-[3-[(2,4-difluorophenyl)methoxy]pyrazol-1-yl]piperidine
SMILESFc1ccc(COc2ccn(C3CCNCC3)n2)c(F)c1
InChIInChI=1S/C15H17F2N3O/c16-12-2-1-11(14(17)9-12)10-21-15-5-8-20(19-15)13-3-6-18-7-4-13/h1-2,5,8-9,13,18H,3-4,6-7,10H2
InChIKeyXVSWAVXZKPIXIB-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.66
Rot. Bonds4

About 4-[3-[(2,4-difluorophenyl)methoxy]pyrazol-1-yl]piperidine

4-[3-[(2,4-difluorophenyl)methoxy]pyrazol-1-yl]piperidine (PubChem CID 164914817) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[3-[(2,4-difluorophenyl)methoxy]pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[3-[(2,4-difluorophenyl)methoxy]pyrazol-1-yl]piperidine
PubChem CID164914817
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name4-[3-[(2,4-difluorophenyl)methoxy]pyrazol-1-yl]piperidine
SMILESFc1ccc(COc2ccn(C3CCNCC3)n2)c(F)c1
InChIInChI=1S/C15H17F2N3O/c16-12-2-1-11(14(17)9-12)10-21-15-5-8-20(19-15)13-3-6-18-7-4-13/h1-2,5,8-9,13,18H,3-4,6-7,10H2
InChIKeyXVSWAVXZKPIXIB-UHFFFAOYSA-N
XLogP2.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,4-difluorophenyl)methoxy]pyrazol-1-yl]piperidine?
The IUPAC name of 4-[3-[(2,4-difluorophenyl)methoxy]pyrazol-1-yl]piperidine (CID 164914817) is 4-[3-[(2,4-difluorophenyl)methoxy]pyrazol-1-yl]piperidine.
What is the SMILES notation for 4-[3-[(2,4-difluorophenyl)methoxy]pyrazol-1-yl]piperidine?
The canonical SMILES for 4-[3-[(2,4-difluorophenyl)methoxy]pyrazol-1-yl]piperidine is Fc1ccc(COc2ccn(C3CCNCC3)n2)c(F)c1.
What is the InChIKey of 4-[3-[(2,4-difluorophenyl)methoxy]pyrazol-1-yl]piperidine?
The InChIKey is XVSWAVXZKPIXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c16-12-2-1-11(14(17)9-12)10-21-15-5-8-20(19-15)13-3-6-18-7-4-13/h1-2,5,8-9,13,18H,3-4,6-7,10H2.
What are the key properties of 4-[3-[(2,4-difluorophenyl)methoxy]pyrazol-1-yl]piperidine?
4-[3-[(2,4-difluorophenyl)methoxy]pyrazol-1-yl]piperidine has a molecular weight of 293.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,4-difluorophenyl)methoxy]pyrazol-1-yl]piperidine is sourced from PubChem (CID 164914817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).