4-Ethylpiperidin-2-one

CAT: 0926-ACA54926-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-ACA54926-01Size:50 mg

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CAS Number

50549-26-3

MDL Number

MFCD13178810

Smiles

CCC1CCNC (=O) C1

Molecular Formula

C7H13NO

Molecular Weight

127.18 g/mol

Controlled

Chemical Information

4-Ethylpiperidin-2-one

CAS Number	50549-26-3
PubChem CID	179570
IUPAC Name	4-ethylpiperidin-2-one
Molecular Formula	C7H13NO
Molecular Weight	127.18
XLogP	0.9
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	111

SMILES

CCC1CCNC(=O)C1

InChI

InChI=1S/C7H13NO/c1-2-6-3-4-8-7(9)5-6/h6H,2-5H2,1H3,(H,8,9)

InChIKey

PCSOIFCXHXFRPF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50549-26-3

CID: 179570

Formula: C7H13NO

MW: 127.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	127.18
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	127.099714038
Monoisotopic Mass	127.099714038
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	111
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
QGA38585-01	3-Ethylpiperidin-2-one
JDC14674-01	5-Amino-1-ethylpiperidin-2-one
GTC46111-01	1-Benzyl-4-ethylpiperidin-3-one hydrochloride
CXB30660	2- (4-Ethylpiperidin-1-yl) ethanamine
EEC94987-01	4-Ethylpiperidin-4-ol hydrochloride
FFC60441-01	4- (4-Ethylpiperidin-4-yl) morpholine
FE143765-01	(1-Ethylpiperidin-4-yl) methanol
VDB00191	[2- (1-Ethylpiperidin-4-yl) -ethyl]amine hydrochloride
YGC02922-01	1- (4-Amino-3-ethylpiperidin-1-yl) -2-methylpropan-1-one hydrochloride
BNB90506-01	2- (2-Ethylpiperidin-1-yl) acetonitrile

Catalog	Name
OR1002564	2-Ethylpiperidin-4-one hydrochloride
OR18292-01	1-Ethylpiperidin-4-one
B439640	6-Ethylpiperidin-2-one
sc-333962A	1-ethylpiperidin-4-one oxime
OR9062	2-Ethylpiperidin-4-one, N-BOC protected
sc-289430	4- (2-ethylpiperidin-1-yl) -4-oxobutan-2-one
OR13509	2,3-Dimethyl-1-ethylpiperidin-4-one hydrochloride
OR1035565-01	3-Amino-1-ethylpiperidin-2-one
sc-273333	1-ethylpiperidin-4-amine
sc-333961A	1-ethylpiperidin-4-ol