tert-butyl N-(2-bromo-5-piperidin-2-ylphenyl)carbamate

C16H23BrN2O2 — CID 117116356

IUPACtert-butyl N-(2-bromo-5-piperidin-2-ylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C2CCCCN2)ccc1Br
InChIInChI=1S/C16H23BrN2O2/c1-16(2,3)21-15(20)19-14-10-11(7-8-12(14)17)13-6-4-5-9-18-13/h7-8,10,13,18H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyPCSIIBIRDNKWOU-UHFFFAOYSA-N
MW355.28 g/mol
LogP4.61
Rot. Bonds2

About tert-butyl N-(2-bromo-5-piperidin-2-ylphenyl)carbamate

tert-butyl N-(2-bromo-5-piperidin-2-ylphenyl)carbamate (PubChem CID 117116356) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is tert-butyl N-(2-bromo-5-piperidin-2-ylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-bromo-5-piperidin-2-ylphenyl)carbamate
PubChem CID117116356
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Nametert-butyl N-(2-bromo-5-piperidin-2-ylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C2CCCCN2)ccc1Br
InChIInChI=1S/C16H23BrN2O2/c1-16(2,3)21-15(20)19-14-10-11(7-8-12(14)17)13-6-4-5-9-18-13/h7-8,10,13,18H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyPCSIIBIRDNKWOU-UHFFFAOYSA-N
XLogP4.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-[(2S)-pyrrolidin-2-yl]phenyl]carbamate
CID 130779938
tert-butyl N-(2-piperidin-2-ylphenyl)carbamate
CID 45357060
tert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate
CID 130632560
tert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate
CID 117446472
tert-butyl N-[2-bromo-5-(hydroxymethyl)phenyl]carbamate
CID 117236636
2-[4-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoacetic acid
CID 117109057
(2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide
CID 104914544
(2R)-2-(6-methoxynaphthalen-2-yl)piperidine
CID 171195323
tert-butyl N-(7-bromo-1,3-benzodioxol-4-yl)carbamate
CID 166541090
tert-butyl N-[4-[(piperidin-2-ylmethylamino)methyl]phenyl]carbamate
CID 107239512
tert-butyl N-[5-[1-(aminomethyl)cyclohexyl]-2-bromophenyl]carbamate
CID 117113452
(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride
CID 171194817

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-bromo-5-piperidin-2-ylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-bromo-5-piperidin-2-ylphenyl)carbamate (CID 117116356) is tert-butyl N-(2-bromo-5-piperidin-2-ylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-bromo-5-piperidin-2-ylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-bromo-5-piperidin-2-ylphenyl)carbamate is CC(C)(C)OC(=O)Nc1cc(C2CCCCN2)ccc1Br.
What is the InChIKey of tert-butyl N-(2-bromo-5-piperidin-2-ylphenyl)carbamate?
The InChIKey is PCSIIBIRDNKWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-16(2,3)21-15(20)19-14-10-11(7-8-12(14)17)13-6-4-5-9-18-13/h7-8,10,13,18H,4-6,9H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-(2-bromo-5-piperidin-2-ylphenyl)carbamate?
tert-butyl N-(2-bromo-5-piperidin-2-ylphenyl)carbamate has a molecular weight of 355.28 g/mol, XLogP of 4.61, 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-bromo-5-piperidin-2-ylphenyl)carbamate is sourced from PubChem (CID 117116356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).