tert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate

C15H22F2N4O2 — CID 77419826

IUPACtert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CN(c2ccncc2N)CCC1(F)F
InChIInChI=1S/C15H22F2N4O2/c1-14(2,3)23-13(22)20-12-9-21(7-5-15(12,16)17)11-4-6-19-8-10(11)18/h4,6,8,12H,5,7,9,18H2,1-3H3,(H,20,22)
InChIKeyKCXGZZPCGFNKAF-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.40
Rot. Bonds2

About tert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate

tert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate (PubChem CID 77419826) has the molecular formula C15H22F2N4O2 and a molecular weight of 328.36 g/mol. Its IUPAC name is tert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate
PubChem CID77419826
Molecular FormulaC15H22F2N4O2
Molecular Weight328.36 g/mol
Exact Mass328.17
IUPAC Nametert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CN(c2ccncc2N)CCC1(F)F
InChIInChI=1S/C15H22F2N4O2/c1-14(2,3)23-13(22)20-12-9-21(7-5-15(12,16)17)11-4-6-19-8-10(11)18/h4,6,8,12H,5,7,9,18H2,1-3H3,(H,20,22)
InChIKeyKCXGZZPCGFNKAF-UHFFFAOYSA-N
XLogP2.40
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane
CID 143755854
tert-butyl N-[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl]carbamate
CID 59332360
tert-butyl N-[(3R,4R)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate
CID 58386807
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173
tert-butyl N-[(3S,5R)-1-(3-amino-4-pyridinyl)-5-iodopiperidin-3-yl]carbamate
CID 89152155
tert-butyl N-[1-(3-amino-4-pyridinyl)-5-methylpiperidin-3-yl]carbamate
CID 58386783
tert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane
CID 160643676
tert-butyl N-[1-(3-amino-4-pyridinyl)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]carbamate
CID 77419825
tert-butyl N-[1-(3-amino-4-pyridinyl)-6-methylpiperidin-3-yl]carbamate
CID 71007348
tert-butyl N-[(3R)-4,4-difluoro-1-(5-fluoro-3H-indol-2-yl)piperidin-3-yl]carbamate
CID 160905501
tert-butyl N-[(3R)-1-(6-chloro-1H-benzimidazol-2-yl)-4,4-difluoropiperidin-3-yl]carbamate
CID 155154614
tert-butyl N-[(3R,4S,5S)-1-(3-amino-4-pyridinyl)-4-[5-(hydroxymethyl)-1,2-dihydrotriazol-3-yl]-5-methylpiperidin-3-yl]carbamate
CID 90056226

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate (CID 77419826) is tert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CN(c2ccncc2N)CCC1(F)F.
What is the InChIKey of tert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate?
The InChIKey is KCXGZZPCGFNKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O2/c1-14(2,3)23-13(22)20-12-9-21(7-5-15(12,16)17)11-4-6-19-8-10(11)18/h4,6,8,12H,5,7,9,18H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate?
tert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate has a molecular weight of 328.36 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate is sourced from PubChem (CID 77419826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).