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4- (Cyclobutylcarbonyl) morpholine

CAT: 0127-BUP23497-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP23497-01Size:2 mg
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CAS Number
15911-04-3
Purity
≥95%
Smiles
O=C (C1CCC1) N2CCOCC2

Chemical Information

AC1Lgqzx

1-[(Phenylthio)acetyl]piperidine is a N-acylpiperidine.

CAS Number15911-04-3
PubChem CID875426
IUPAC Name2-phenylsulfanyl-1-piperidin-1-ylethanone
Molecular FormulaC13H17NOS
Molecular Weight235.35
XLogP2.8
Topological Polar Surface Area45.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity220
SMILES
C1CCN(CC1)C(=O)CSC2=CC=CC=C2
InChI
InChI=1S/C13H17NOS/c15-13(14-9-5-2-6-10-14)11-16-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKey
AALJCIWZQJATKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AC1Lgqzx
CAS: 15911-04-3
CID: 875426
Formula: C13H17NOS
MW: 235.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight235.35
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass235.10308534
Monoisotopic Mass235.10308534
Topological Polar Surface Area45.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity220
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes