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

C15H22BrN3O2 — CID 141444415

IUPACtert-butyl 3-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2cnc(N)c(Br)c2)C1
InChIInChI=1S/C15H22BrN3O2/c1-15(2,3)21-14(20)19-6-4-5-10(9-19)11-7-12(16)13(17)18-8-11/h7-8,10H,4-6,9H2,1-3H3,(H2,17,18)
InChIKeyBVWNZWZPBREHFQ-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.54
Rot. Bonds1

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

tert-butyl 3-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate (PubChem CID 141444415) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is tert-butyl 3-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate
PubChem CID141444415
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Nametert-butyl 3-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2cnc(N)c(Br)c2)C1
InChIInChI=1S/C15H22BrN3O2/c1-15(2,3)21-14(20)19-6-4-5-10(9-19)11-7-12(16)13(17)18-8-11/h7-8,10H,4-6,9H2,1-3H3,(H2,17,18)
InChIKeyBVWNZWZPBREHFQ-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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Related Compounds

4-Boc-1-(5-bromo-2-pyridyl)piperazine
CID 11244775
tert-Butyl 4-(6-aminopyridin-3-yl)piperidine-1-carboxylate
CID 49839963
t-Butyl 5'-bromo-2'-oxo-1',2'-dihydrospiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-1-carboxylate
CID 68333607
3-Bromo-5-cyclobutylpyridin-2-amine
CID 119056910
Tert-butyl 8-amino-1,2,3,4-tetrahydro-2,7-naphthyridine-2-carboxylate
CID 132372827
tert-butyl 5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
CID 57856243
Tert-butyl 3-(6-aminopyridin-3-yl)azetidine-1-carboxylate
CID 58044110
tert-Butyl 2-(6-aminopyridin-3-yl)piperidine-1-carboxylate
CID 102539672
tert-Butyl (3-bromo-5-methylpyridin-2-yl)carbamate
CID 70701046
(2R)-4-(5-Bromo-3-trifluoromethyl-pyridin-2-yl)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester
CID 11575439
(5-Bromo-6-fluoro-pyridin-2-yl)-(5-fluoro-pyridin-3-ylmethyl)-carbamic acid tert-butyl ester
CID 57619177
tert-butyl N-(5-bromo-6-fluoro-2-pyridinyl)-N-[(2-methyl-4-pyridinyl)methyl]carbamate
CID 57963066

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate (CID 141444415) is tert-butyl 3-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(c2cnc(N)c(Br)c2)C1.
What is the InChIKey of tert-butyl 3-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate?
The InChIKey is BVWNZWZPBREHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-15(2,3)21-14(20)19-6-4-5-10(9-19)11-7-12(16)13(17)18-8-11/h7-8,10H,4-6,9H2,1-3H3,(H2,17,18).
What are the key properties of tert-butyl 3-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate?
tert-butyl 3-(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 3-(6-amino-5-bromo-3-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 141444415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).