(4-fluorophenyl)methyl (4R)-3,3-difluoro-4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate

C19H19F4N3O2 — CID 134542499

IUPAC(4-fluorophenyl)methyl (4R)-3,3-difluoro-4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccc(F)cc1)N1CC[C@H](CNc2ccncc2F)C(F)(F)C1
InChIInChI=1S/C19H19F4N3O2/c20-15-3-1-13(2-4-15)11-28-18(27)26-8-6-14(19(22,23)12-26)9-25-17-5-7-24-10-16(17)21/h1-5,7,10,14H,6,8-9,11-12H2,(H,24,25)/t14-/m1/s1
InChIKeyAIFMVZPWHAMWMV-CQSZACIVSA-N
MW397.37 g/mol
LogP4.07
Rot. Bonds5

About (4-fluorophenyl)methyl (4R)-3,3-difluoro-4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate

(4-fluorophenyl)methyl (4R)-3,3-difluoro-4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 134542499) has the molecular formula C19H19F4N3O2 and a molecular weight of 397.37 g/mol. Its IUPAC name is (4-fluorophenyl)methyl (4R)-3,3-difluoro-4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl (4R)-3,3-difluoro-4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate
PubChem CID134542499
Molecular FormulaC19H19F4N3O2
Molecular Weight397.37 g/mol
Exact Mass397.14
IUPAC Name(4-fluorophenyl)methyl (4R)-3,3-difluoro-4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccc(F)cc1)N1CC[C@H](CNc2ccncc2F)C(F)(F)C1
InChIInChI=1S/C19H19F4N3O2/c20-15-3-1-13(2-4-15)11-28-18(27)26-8-6-14(19(22,23)12-26)9-25-17-5-7-24-10-16(17)21/h1-5,7,10,14H,6,8-9,11-12H2,(H,24,25)/t14-/m1/s1
InChIKeyAIFMVZPWHAMWMV-CQSZACIVSA-N
XLogP4.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl (4R)-3,3-difluoro-4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl (4R)-3,3-difluoro-4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate (CID 134542499) is (4-fluorophenyl)methyl (4R)-3,3-difluoro-4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl (4R)-3,3-difluoro-4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl (4R)-3,3-difluoro-4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate is O=C(OCc1ccc(F)cc1)N1CC[C@H](CNc2ccncc2F)C(F)(F)C1.
What is the InChIKey of (4-fluorophenyl)methyl (4R)-3,3-difluoro-4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is AIFMVZPWHAMWMV-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19F4N3O2/c20-15-3-1-13(2-4-15)11-28-18(27)26-8-6-14(19(22,23)12-26)9-25-17-5-7-24-10-16(17)21/h1-5,7,10,14H,6,8-9,11-12H2,(H,24,25)/t14-/m1/s1.
What are the key properties of (4-fluorophenyl)methyl (4R)-3,3-difluoro-4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate?
(4-fluorophenyl)methyl (4R)-3,3-difluoro-4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 397.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl (4R)-3,3-difluoro-4-[[(3-fluoro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 134542499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).