1-Boc-4-ethynylpiperidine

CAT: 0024-sc-481156Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-481156Size:1 g

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CAS Number

287192-97-6

Chemical Information

tert-Butyl 4-ethynylpiperidine-1-carboxylate

CAS Number	287192-97-6
PubChem CID	15550481
IUPAC Name	tert-butyl 4-ethynylpiperidine-1-carboxylate
Molecular Formula	C12H19NO2
Molecular Weight	209.28
XLogP	2
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	274

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C#C

InChI

InChI=1S/C12H19NO2/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3

InChIKey

INUWDZDWSJJFSQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 287192-97-6

CID: 15550481

Formula: C12H19NO2

MW: 209.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.28
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	209.141578849
Monoisotopic Mass	209.141578849
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	274
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-282046	1-Boc-4-cyclopropylaminopiperidine
sc-255800	1-Boc-4-hydroxypiperidine
sc-297799	1-Boc-4-isobutoxypiperidine
sc-297797	1-Boc-4-bromopyrazole
sc-287091	1-Boc-4-cyclobutylaminopiperidine
sc-229773D	1-Boc-4-bromopiperidine
sc-297798A	1-BOC-4-cyanomethylpiperidine
sc-482961	1-Boc-4-Ethylaminopiperidine
sc-297798	1-BOC-4-cyanomethylpiperidine
sc-229773C	1-Boc-4-bromopiperidine

Catalog	Name
263972-01	1-Boc-4-ethynylpiperidine
OR93763-01	1-Boc-3-Ethynylpiperidine
AXA37830-01	4-ethynylpiperidine hydrochloride
OR302454	2-Ethynylpiperidine hydrochloride
JNB91819	3-ethynylpiperidine hydrochloride
abx183588-01	4-Ethynylpiperidine-1-carboxylic acid tert-butyl ester
OR74129-01	Tert-Butyl 2-ethynylpiperidine-1-carboxylate
GIC93067-01	Tert-Butyl (2R) -2-ethynylpiperidine-1-carboxylate
OR951024-01	1-Boc-4- (Boc-amino) -4-piperidinecarboxylic acid
FB66832-01	1-Boc-4-methylpiperazine