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Compound Fr12458

CAT: 0931-Fr12458-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12458-01Size:200 mg
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CAS Number
690634-81-2
Bioactivity
Compound Fr12458, with CAS No. 690634-81-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12458 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
Cl.O=C(C1CCCCN1)N1CCCC1
Molecular Formula
C10H19ClN2O
Molecular Weight
218.724
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Piperidinyl(1-pyrrolidinyl)methanone hydrochloride
CAS Number690634-81-2
PubChem CID2794693
IUPAC Namepiperidin-2-yl(pyrrolidin-1-yl)methanone;hydrochloride
Molecular FormulaC10H19ClN2O
Molecular Weight218.72
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity187
SMILES
C1CCNC(C1)C(=O)N2CCCC2.Cl
InChI
InChI=1S/C10H18N2O.ClH/c13-10(12-7-3-4-8-12)9-5-1-2-6-11-9;/h9,11H,1-8H2;1H
InChIKey
RIAUQORBEIQABE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Piperidinyl(1-pyrrolidinyl)methanone hydrochloride
CAS: 690634-81-2
CID: 2794693
Formula: C10H19ClN2O
MW: 218.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.72
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass218.1185909
Monoisotopic Mass218.1185909
Topological Polar Surface Area32.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity187
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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