4,4-difluoro-1-(1-methylimidazol-4-yl)piperidine

C9H13F2N3 — CID 175988491

IUPAC4,4-difluoro-1-(1-methylimidazol-4-yl)piperidine
SMILESCn1cnc(N2CCC(F)(F)CC2)c1
InChIInChI=1S/C9H13F2N3/c1-13-6-8(12-7-13)14-4-2-9(10,11)3-5-14/h6-7H,2-5H2,1H3
InChIKeyNUZOQCBDSHFPRC-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.66
Rot. Bonds1

About 4,4-difluoro-1-(1-methylimidazol-4-yl)piperidine

4,4-difluoro-1-(1-methylimidazol-4-yl)piperidine (PubChem CID 175988491) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4,4-difluoro-1-(1-methylimidazol-4-yl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(1-methylimidazol-4-yl)piperidine
PubChem CID175988491
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name4,4-difluoro-1-(1-methylimidazol-4-yl)piperidine
SMILESCn1cnc(N2CCC(F)(F)CC2)c1
InChIInChI=1S/C9H13F2N3/c1-13-6-8(12-7-13)14-4-2-9(10,11)3-5-14/h6-7H,2-5H2,1H3
InChIKeyNUZOQCBDSHFPRC-UHFFFAOYSA-N
XLogP1.66
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine
CID 155742359
2-(4,4-difluoropiperidin-1-yl)-6-methoxypyridine
CID 169116672
4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 172891083
2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine
CID 169091956
6-(4,4-difluoropiperidin-1-yl)-3-ethenyl-2-methylpyridine
CID 168665760
2-(2,6-difluorophenyl)-4-[4-(4,4-difluoropiperidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 126655240
2-(4,4-difluoropiperidin-1-yl)-6-ethenyl-4-methylpyridine
CID 171542202
1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone
CID 169266288
4,4-difluoro-1-(4-iodophenyl)piperidine
CID 166883547
4,4-difluoro-1-(4-methylphenyl)piperidine;ethane
CID 145061539
5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine
CID 121261462
6-(4,4-difluoropiperidin-1-yl)-2-methyl-3-(2,2,2-trifluoroethoxy)pyridine
CID 146526057

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(1-methylimidazol-4-yl)piperidine?
The IUPAC name of 4,4-difluoro-1-(1-methylimidazol-4-yl)piperidine (CID 175988491) is 4,4-difluoro-1-(1-methylimidazol-4-yl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(1-methylimidazol-4-yl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(1-methylimidazol-4-yl)piperidine is Cn1cnc(N2CCC(F)(F)CC2)c1.
What is the InChIKey of 4,4-difluoro-1-(1-methylimidazol-4-yl)piperidine?
The InChIKey is NUZOQCBDSHFPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-13-6-8(12-7-13)14-4-2-9(10,11)3-5-14/h6-7H,2-5H2,1H3.
What are the key properties of 4,4-difluoro-1-(1-methylimidazol-4-yl)piperidine?
4,4-difluoro-1-(1-methylimidazol-4-yl)piperidine has a molecular weight of 201.22 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(1-methylimidazol-4-yl)piperidine is sourced from PubChem (CID 175988491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).