1-Acetylpiperazine

CAT: 0024-sc-237460Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-237460Size:5 g

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CAS Number

13889-98-0

Chemical Information

1-Acetylpiperazine

1-Acetylpiperazine is a member of phytanoyl-CoAs.

CAS Number	13889-98-0
PubChem CID	83795
IUPAC Name	1-piperazin-1-ylethanone
Molecular Formula	C6H12N2O
Molecular Weight	128.17
XLogP	-0.9
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	108

SMILES

CC(=O)N1CCNCC1

InChI

InChI=1S/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3

InChIKey

PKDPUENCROCRCH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13889-98-0

CID: 83795

Formula: C6H12N2O

MW: 128.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.17
XLogP3	-0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	128.094963011
Monoisotopic Mass	128.094963011
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	108
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-480457	N-Acetylpiperazine-d4
sc-479702	N-Acetylpiperazine-N′- (4-phenol) Ketoconazole
sc-358614A	1-Acetylpiperidine
sc-358614	1-Acetylpiperidine
sc-297582	1- (4-Piperidinyloxy) acetylpiperidine
sc-297582A	1- (4-Piperidinyloxy) acetylpiperidine
sc-333714A	1-acetylpiperidine-2-carboxylic acid
sc-282006	1-acetylpiperidine-3-carboxylic acid
sc-333714	1-acetylpiperidine-2-carboxylic acid
sc-337720	Ethyl 1-acetylpiperidine-3-carboxylate

Catalog	Name
FA10288-01	1-Acetylpiperazine
HY-W007382S-01	1-Acetylpiperazine-d4
FAA90631-01	4-Acetylpiperazine-1-sulfonamide
OR1003830-01	4-Acetylpiperazine-1-carbaldehyde
NQA11853-01	4-Acetylpiperazine-1-carbothioamide
OR1484	4-Acetylpiperazine-1-carboxamidine hydroiodide
458062-01	N-Acetylpiperazine-d4
TRC-A187500-5MG	N-Acetylpiperazine-N’-(4-phenol) Ketoconazole
WDC59839-01	N-Acetylpiperazine-N- (4-phenol) ketoconazole
MBS6016853-01	N-Acetylpiperazine-N'-(4-phenol) Ketoconazole