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

C20H25F2N3O3 — CID 164914492

IUPACtert-butyl 4-[1-[(2,4-difluorophenyl)methoxy]pyrazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccn(OCc3ccc(F)cc3F)n2)CC1
InChIInChI=1S/C20H25F2N3O3/c1-20(2,3)28-19(26)24-9-6-14(7-10-24)18-8-11-25(23-18)27-13-15-4-5-16(21)12-17(15)22/h4-5,8,11-12,14H,6-7,9-10,13H2,1-3H3
InChIKeyNABUNCRSXIKNLQ-UHFFFAOYSA-N
MW393.43 g/mol
LogP3.90
Rot. Bonds4

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

tert-butyl 4-[1-[(2,4-difluorophenyl)methoxy]pyrazol-3-yl]piperidine-1-carboxylate (PubChem CID 164914492) has the molecular formula C20H25F2N3O3 and a molecular weight of 393.43 g/mol. Its IUPAC name is tert-butyl 4-[1-[(2,4-difluorophenyl)methoxy]pyrazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-[(2,4-difluorophenyl)methoxy]pyrazol-3-yl]piperidine-1-carboxylate
PubChem CID164914492
Molecular FormulaC20H25F2N3O3
Molecular Weight393.43 g/mol
Exact Mass393.19
IUPAC Nametert-butyl 4-[1-[(2,4-difluorophenyl)methoxy]pyrazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccn(OCc3ccc(F)cc3F)n2)CC1
InChIInChI=1S/C20H25F2N3O3/c1-20(2,3)28-19(26)24-9-6-14(7-10-24)18-8-11-25(23-18)27-13-15-4-5-16(21)12-17(15)22/h4-5,8,11-12,14H,6-7,9-10,13H2,1-3H3
InChIKeyNABUNCRSXIKNLQ-UHFFFAOYSA-N
XLogP3.90
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 122270741
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CID 59327647
tert-butyl 4-[(2-chloro-4-fluorophenyl)methoxy]piperidine-1-carboxylate
CID 118110637
tert-butyl 4-[5-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1-carboxylate
CID 58222063
tert-butyl 4-[(2,4-difluorophenyl)methyl]-4-fluoropiperidine-1-carboxylate
CID 163385640
tert-butyl 3-[(2,4-difluorophenyl)methylamino]azetidine-1-carboxylate
CID 63303234
tert-butyl 4-[1-(5-chloro-2-pyridinyl)pyrazol-3-yl]piperidine-1-carboxylate
CID 118166904
tert-butyl 4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118483512
tert-butyl 4-[(2,4-difluorophenyl)methylidene]piperidine-1-carboxylate;tert-butyl 4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylate
CID 159612931
tert-butyl 4-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 69352894
tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate
CID 148649807
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-[(2,4-difluorophenyl)methoxy]pyrazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-[(2,4-difluorophenyl)methoxy]pyrazol-3-yl]piperidine-1-carboxylate (CID 164914492) is tert-butyl 4-[1-[(2,4-difluorophenyl)methoxy]pyrazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-[(2,4-difluorophenyl)methoxy]pyrazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-[(2,4-difluorophenyl)methoxy]pyrazol-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccn(OCc3ccc(F)cc3F)n2)CC1.
What is the InChIKey of tert-butyl 4-[1-[(2,4-difluorophenyl)methoxy]pyrazol-3-yl]piperidine-1-carboxylate?
The InChIKey is NABUNCRSXIKNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O3/c1-20(2,3)28-19(26)24-9-6-14(7-10-24)18-8-11-25(23-18)27-13-15-4-5-16(21)12-17(15)22/h4-5,8,11-12,14H,6-7,9-10,13H2,1-3H3.
What are the key properties of tert-butyl 4-[1-[(2,4-difluorophenyl)methoxy]pyrazol-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-[(2,4-difluorophenyl)methoxy]pyrazol-3-yl]piperidine-1-carboxylate has a molecular weight of 393.43 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-[(2,4-difluorophenyl)methoxy]pyrazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 164914492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).