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

C15H22F2N4O2 — CID 90810829

IUPACtert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)N(c1ccncc1N)C1CNCCC1(F)F
InChIInChI=1S/C15H22F2N4O2/c1-14(2,3)23-13(22)21(11-4-6-19-8-10(11)18)12-9-20-7-5-15(12,16)17/h4,6,8,12,20H,5,7,9,18H2,1-3H3
InChIKeySOBPAMVBSFAAIR-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.40
Rot. Bonds2

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

tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate (PubChem CID 90810829) has the molecular formula C15H22F2N4O2 and a molecular weight of 328.36 g/mol. Its IUPAC name is tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate
PubChem CID90810829
Molecular FormulaC15H22F2N4O2
Molecular Weight328.36 g/mol
Exact Mass328.17
IUPAC Nametert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)N(c1ccncc1N)C1CNCCC1(F)F
InChIInChI=1S/C15H22F2N4O2/c1-14(2,3)23-13(22)21(11-4-6-19-8-10(11)18)12-9-20-7-5-15(12,16)17/h4,6,8,12,20H,5,7,9,18H2,1-3H3
InChIKeySOBPAMVBSFAAIR-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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate (CID 90810829) is tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate is CC(C)(C)OC(=O)N(c1ccncc1N)C1CNCCC1(F)F.
What is the InChIKey of tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate?
The InChIKey is SOBPAMVBSFAAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O2/c1-14(2,3)23-13(22)21(11-4-6-19-8-10(11)18)12-9-20-7-5-15(12,16)17/h4,6,8,12,20H,5,7,9,18H2,1-3H3.
What are the key properties of tert-butyl N-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate?
tert-butyl N-(3-amino-4-pyridinyl)-N-(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-(3-amino-4-pyridinyl)-N-(4,4-difluoropiperidin-3-yl)carbamate is sourced from PubChem (CID 90810829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).