CAS
914347-60-7 Purity
96%
914347-60-7 Purity
96%
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1-Piperidinecarboxylicacid,3-[(5-bromo-2-pyrimidinyl)oxy]-,1,1-dimethylethyl ester
CAS
914347-76-5
Catalog Number
ACM914347765
Category
Other Products
Molecular Weight
358.23
Molecular Formula
C14H20BrN3O3
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Specification
Synonyms
3-(5-BROMOPYRIMIDIN-2-YLOXY)PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;TERT-BUTYL 3-(5-BROMOPYRIMIDIN-2-YLOXY)PIPERIDINE-1-CARBOXYLATE;1-Boc-3-(5-bromopyrimidin-2-yloxy)piperidine
IUPAC Name
tert-butyl 3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)N1CCCC(C1)OC2=NC=C(C=N2)Br
InChI Key
GKKCIZYFXVJWRL-UHFFFAOYSA-N
Boiling Point
451.6ºC at 760 mmHg
Flash Point
226.9ºC
Density
1.394g/cm³
Exact Mass
357.06900
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 1-Piperidinecarboxylic acid, 3-[(5-bromo-2-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester?
The molecular formula is C14H20BrN3O3.
What is the molecular weight of the compound?
The molecular weight is 358.23 g/mol.
What are some synonyms for 1-Piperidinecarboxylic acid, 3-[(5-bromo-2-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester?
Some synonyms include 1-Boc-3-(5-Bromopyrimidin-2-yloxy)piperidine, tert-Butyl 3-((5-bromopyrimidin-2-yl)oxy)piperidine-1-carboxylate, and more.
What is the InChIKey for this compound?
The InChIKey is GKKCIZYFXVJWRL-UHFFFAOYSA-N.
How many hydrogen bond acceptors are in the compound?
There are 5 hydrogen bond acceptors.
What is the XLogP3-AA value for the compound?
The XLogP3-AA value is 2.6.
What is the heavy atom count of the compound?
The heavy atom count is 21.
Does the compound have any defined bond stereocenters?
No, it does not have any defined bond stereocenters.
What is the topological polar surface area of the compound?
The topological polar surface area is 64.6 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
914347-88-9 Purity
96%
914347-88-9 Purity
96%
