1-Boc-3-Ethynylpiperidine

CAT: 0127-OR93763-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR93763-01Size:250 mg

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CAS Number

664362-16-7

MDL Number

MFCD10698159

Purity

97%

Smiles

C#CC1CCCN(C1)C(=O)OC(C)(C)C

Chemical Information

tert-Butyl 3-ethynylpiperidine-1-carboxylate

CAS Number	664362-16-7
PubChem CID	21963855
IUPAC Name	tert-butyl 3-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	282

SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C#C

InChI

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

InChIKey

IJHRDEPFBAXIMW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 664362-16-7

CID: 21963855

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	282
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR74512-01	1-Boc-4-ethynylpiperidine
OR75741	3-Ethynylpiperidine hydrochloride
OR302454	2-Ethynylpiperidine hydrochloride
OR74828-01	4-Ethynylpiperidine hydrochloride
OR74129-01	Tert-Butyl 2-ethynylpiperidine-1-carboxylate
OR1052751-01	Ethyl 1-Boc-3-ethylpiperidine-3-carboxylate
OR30969-01	3-Amino-3-ethylpiperidine, N1-BOC protected
OR317308	1-Boc-3-acetamidoazetidine
OR96001-01	1-Boc-3-Methylaminopyrrolidine
OR1044112-01	1-Boc-3-aminopiperidine

Catalog	Name
sc-481156	1-Boc-4-ethynylpiperidine
JNB91819	3-ethynylpiperidine hydrochloride
FFC68053-01	2-Ethynylpiperidine hydrochloride
AXA37830-01	4-ethynylpiperidine hydrochloride
GIC93067-01	Tert-Butyl (2R) -2-ethynylpiperidine-1-carboxylate
abx183588-01	4-Ethynylpiperidine-1-carboxylic acid tert-butyl ester
FUB66287	1-Boc-3-methoxycarbonylmethyleneazetidine
408904-01	1-Boc-3-bromoindole
MBS6031054-01	1-Boc-3-pyrrolidinone
MBS6112605-01	1-Boc-3-aminoazetidine