tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate

C15H22FN3O2 — CID 86720909

IUPACtert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CCN(c2c(N)cncc2F)CC1
InChIInChI=1S/C15H22FN3O2/c1-15(2,3)21-14(20)10-4-6-19(7-5-10)13-11(16)8-18-9-12(13)17/h8-10H,4-7,17H2,1-3H3
InChIKeyMOVLIJJQHSYTQS-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.36
Rot. Bonds2

About tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate

tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate (PubChem CID 86720909) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate
PubChem CID86720909
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Nametert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CCN(c2c(N)cncc2F)CC1
InChIInChI=1S/C15H22FN3O2/c1-15(2,3)21-14(20)10-4-6-19(7-5-10)13-11(16)8-18-9-12(13)17/h8-10H,4-7,17H2,1-3H3
InChIKeyMOVLIJJQHSYTQS-UHFFFAOYSA-N
XLogP2.36
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate?
The IUPAC name of tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate (CID 86720909) is tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate.
What is the SMILES notation for tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate?
The canonical SMILES for tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate is CC(C)(C)OC(=O)C1CCN(c2c(N)cncc2F)CC1.
What is the InChIKey of tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate?
The InChIKey is MOVLIJJQHSYTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-15(2,3)21-14(20)10-4-6-19(7-5-10)13-11(16)8-18-9-12(13)17/h8-10H,4-7,17H2,1-3H3.
What are the key properties of tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate?
tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate has a molecular weight of 295.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate is sourced from PubChem (CID 86720909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).