tert-butyl 4-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate

C15H22BrN3O2 — CID 118045481

IUPACtert-butyl 4-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cnc(N)c(Br)c2)CC1
InChIInChI=1S/C15H22BrN3O2/c1-15(2,3)21-14(20)19-6-4-10(5-7-19)11-8-12(16)13(17)18-9-11/h8-10H,4-7H2,1-3H3,(H2,17,18)
InChIKeyQQMQYTRKHYMWKW-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.54
Rot. Bonds1

About tert-butyl 4-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate

tert-butyl 4-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate (PubChem CID 118045481) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is tert-butyl 4-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate
PubChem CID118045481
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Nametert-butyl 4-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cnc(N)c(Br)c2)CC1
InChIInChI=1S/C15H22BrN3O2/c1-15(2,3)21-14(20)19-6-4-10(5-7-19)11-8-12(16)13(17)18-9-11/h8-10H,4-7H2,1-3H3,(H2,17,18)
InChIKeyQQMQYTRKHYMWKW-UHFFFAOYSA-N
XLogP3.54
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate (CID 118045481) is tert-butyl 4-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cnc(N)c(Br)c2)CC1.
What is the InChIKey of tert-butyl 4-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate?
The InChIKey is QQMQYTRKHYMWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-15(2,3)21-14(20)19-6-4-10(5-7-19)11-8-12(16)13(17)18-9-11/h8-10H,4-7H2,1-3H3,(H2,17,18).
What are the key properties of tert-butyl 4-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate?
tert-butyl 4-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate has a molecular weight of 356.26 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 118045481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).