1-Hexanoylpiperazine

CAT: 0127-OR0839-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR0839-02Size:5 g

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CAS Number

18903-05-4

Synonyms

1- (1-Piperazinyl) -1-hexanone

MDL Number

MFCD04973345

Purity

98%

Smiles

CCCCCC(=O)N1CCNCC1

Chemical Information

1-Hexanoylpiperazine

CAS Number	18903-05-4
PubChem CID	3248922
IUPAC Name	1-piperazin-1-ylhexan-1-one
Molecular Formula	C10H20N2O
Molecular Weight	184.28
XLogP	1
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	153

SMILES

CCCCCC(=O)N1CCNCC1

InChI

InChI=1S/C10H20N2O/c1-2-3-4-5-10(13)12-8-6-11-7-9-12/h11H,2-9H2,1H3

InChIKey

ZVWWNYWKAQNQTM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18903-05-4

CID: 3248922

Formula: C10H20N2O

MW: 184.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.28
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	184.157563266
Monoisotopic Mass	184.157563266
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	153
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
BUP12620-01	1,1,1,1-Kestohexaose
OR312388	1-Phenylbicyclo[1.1.1]pentane
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane
PC7819M-01	1,1,1-Trifluoropropane
OR1044052-01	1,1,1-Trimethoxypropane
OR305626	1,1,1-Triphenylsilanamine
PC2909	1,1,1-Trifluorobutane
OR16079-01	1,1,1-Trichloroacetone
PC01657-01	1,1,1-Trifluorohexane

Catalog	Name
OF59775-01	1,1,1,1,1-Kestoheptaose
N2864-5.1	1,1,1,1-Kestohexaose
112040	1,1,1,1-Kestohexose
410417-01	1,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
IFA69273-01	1-Iodobicyclo[1.1.1]pentane
GTR19217879-01	AMPK-α1β1γ1 activator 1
DFA88480-01	1-Bromobicyclo[1.1.1]pentane
AAA91800	1,1,1-Trichloroacetone
HY-133623	1,1,1-Tribromoacetone