tert-butyl N-(2,3-difluoro-5-piperidin-4-ylphenyl)carbamate

C16H22F2N2O2 — CID 117116565

IUPACtert-butyl N-(2,3-difluoro-5-piperidin-4-ylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C2CCNCC2)cc(F)c1F
InChIInChI=1S/C16H22F2N2O2/c1-16(2,3)22-15(21)20-13-9-11(8-12(17)14(13)18)10-4-6-19-7-5-10/h8-10,19H,4-7H2,1-3H3,(H,20,21)
InChIKeyCYKUTEGQFIKLSZ-UHFFFAOYSA-N
MW312.36 g/mol
LogP3.78
Rot. Bonds2

About tert-butyl N-(2,3-difluoro-5-piperidin-4-ylphenyl)carbamate

tert-butyl N-(2,3-difluoro-5-piperidin-4-ylphenyl)carbamate (PubChem CID 117116565) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is tert-butyl N-(2,3-difluoro-5-piperidin-4-ylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,3-difluoro-5-piperidin-4-ylphenyl)carbamate
PubChem CID117116565
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Nametert-butyl N-(2,3-difluoro-5-piperidin-4-ylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C2CCNCC2)cc(F)c1F
InChIInChI=1S/C16H22F2N2O2/c1-16(2,3)22-15(21)20-13-9-11(8-12(17)14(13)18)10-4-6-19-7-5-10/h8-10,19H,4-7H2,1-3H3,(H,20,21)
InChIKeyCYKUTEGQFIKLSZ-UHFFFAOYSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate
CID 67813213
tert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate
CID 117446472
tert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate
CID 90960498
tert-butyl N-[2,3-difluoro-5-(2-hydroxypropan-2-yl)phenyl]carbamate
CID 117113919
methyl 3,4-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 177331943
tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate
CID 83902120
tert-butyl N-(2,3,5-trifluoro-4-methylphenyl)carbamate
CID 170026832
tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate
CID 107240213
tert-butyl N-[3-[4-(3,4,5-trifluorophenyl)piperidin-1-yl]propyl]carbamate
CID 22729485
tert-butyl N-[5-(2-aminooxyethyl)-2,3-difluorophenyl]carbamate
CID 117111440
tert-butyl N-(5-bromo-2,3-difluoro-4-methylphenyl)carbamate
CID 169077590
N-(2-fluoro-5-piperidin-4-ylphenyl)-2-methylpropanamide
CID 18446856

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,3-difluoro-5-piperidin-4-ylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2,3-difluoro-5-piperidin-4-ylphenyl)carbamate (CID 117116565) is tert-butyl N-(2,3-difluoro-5-piperidin-4-ylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,3-difluoro-5-piperidin-4-ylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2,3-difluoro-5-piperidin-4-ylphenyl)carbamate is CC(C)(C)OC(=O)Nc1cc(C2CCNCC2)cc(F)c1F.
What is the InChIKey of tert-butyl N-(2,3-difluoro-5-piperidin-4-ylphenyl)carbamate?
The InChIKey is CYKUTEGQFIKLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-16(2,3)22-15(21)20-13-9-11(8-12(17)14(13)18)10-4-6-19-7-5-10/h8-10,19H,4-7H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-(2,3-difluoro-5-piperidin-4-ylphenyl)carbamate?
tert-butyl N-(2,3-difluoro-5-piperidin-4-ylphenyl)carbamate has a molecular weight of 312.36 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,3-difluoro-5-piperidin-4-ylphenyl)carbamate is sourced from PubChem (CID 117116565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).