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Compound Fr13461

CAT: 0931-Fr13461-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13461-02Size:2 mg
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CAS Number
42060-81-1
Bioactivity
Compound Fr13461, with CAS No. 42060-81-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13461 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.Cc1cc(C)c(C(=O)C2CCNCC2)c(C)c1
Molecular Formula
C15H21NO.ClH
Molecular Weight
267.8
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mesityl(piperidin-4-yl)methanone hydrochloride

Mesityl(piperidin-4-yl)methanone hydrochloride is an aromatic ketone.

CAS Number42060-81-1
PubChem CID2741682
IUPAC Namepiperidin-4-yl-(2,4,6-trimethylphenyl)methanone;hydrochloride
Molecular FormulaC15H22ClNO
Molecular Weight267.79
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity258
SMILES
CC1=CC(=C(C(=C1)C)C(=O)C2CCNCC2)C.Cl
InChI
InChI=1S/C15H21NO.ClH/c1-10-8-11(2)14(12(3)9-10)15(17)13-4-6-16-7-5-13;/h8-9,13,16H,4-7H2,1-3H3;1H
InChIKey
YAPHJLMAYGXSOF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mesityl(piperidin-4-yl)methanone hydrochloride
CAS: 42060-81-1
CID: 2741682
Formula: C15H22ClNO
MW: 267.79
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.79
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass267.1389920
Monoisotopic Mass267.1389920
Topological Polar Surface Area29.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity258
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr13261-01Compound Fr13261
Fr14361-01Compound Fr14361
Fr13467-01Compound Fr13467
Fr13641-01Compound Fr13641
Fr13468-01Compound Fr13468
Fr13462-01Compound Fr13462
Fr13460-01Compound Fr13460
Fr13431-01Compound Fr13431
Fr13471-01Compound Fr13471
Fr13421-01Compound Fr13421

Alternative Products

CatalogName
ALX-550-516-M025Compound A
C8444-50Compound C108
C5824-10GPR120 Compound A
A8197-5.1Compound 56
B7337-5Compound 401
XXC35825-01Compound 3a
HY-14176-01Compound E
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254

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