tert-butyl 4-[(3-fluoro-4-pyridinyl)amino]piperidine-1-carboxylate

C15H22FN3O2 — CID 67197045

IUPACtert-butyl 4-[(3-fluoro-4-pyridinyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccncc2F)CC1
InChIInChI=1S/C15H22FN3O2/c1-15(2,3)21-14(20)19-8-5-11(6-9-19)18-13-4-7-17-10-12(13)16/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,17,18)
InChIKeyQHENGRLUIZNBGH-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.03
Rot. Bonds2

About tert-butyl 4-[(3-fluoro-4-pyridinyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(3-fluoro-4-pyridinyl)amino]piperidine-1-carboxylate (PubChem CID 67197045) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is tert-butyl 4-[(3-fluoro-4-pyridinyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-fluoro-4-pyridinyl)amino]piperidine-1-carboxylate
PubChem CID67197045
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Nametert-butyl 4-[(3-fluoro-4-pyridinyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccncc2F)CC1
InChIInChI=1S/C15H22FN3O2/c1-15(2,3)21-14(20)19-8-5-11(6-9-19)18-13-4-7-17-10-12(13)16/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,17,18)
InChIKeyQHENGRLUIZNBGH-UHFFFAOYSA-N
XLogP3.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-fluoro-4-pyridinyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-fluoro-4-pyridinyl)amino]piperidine-1-carboxylate (CID 67197045) is tert-butyl 4-[(3-fluoro-4-pyridinyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-fluoro-4-pyridinyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-fluoro-4-pyridinyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2ccncc2F)CC1.
What is the InChIKey of tert-butyl 4-[(3-fluoro-4-pyridinyl)amino]piperidine-1-carboxylate?
The InChIKey is QHENGRLUIZNBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-15(2,3)21-14(20)19-8-5-11(6-9-19)18-13-4-7-17-10-12(13)16/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl 4-[(3-fluoro-4-pyridinyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(3-fluoro-4-pyridinyl)amino]piperidine-1-carboxylate has a molecular weight of 295.36 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-fluoro-4-pyridinyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 67197045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).