Products for Research Use Only
RegisterLogin

Compound Fr12678

CAT: 0931-Fr12678-01Size: 200 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-Fr12678-01Size:200 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
93138-55-7
Bioactivity
Compound Fr12678, with CAS No. 93138-55-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12678 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
Nc1cccc(CN2CCCCC2)c1
Molecular Formula
C12H18N2
Molecular Weight
190.2847
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(1-Piperidinylmethyl)aniline
CAS Number93138-55-7
PubChem CID6484331
IUPAC Name3-(piperidin-1-ylmethyl)aniline
Molecular FormulaC12H18N2
Molecular Weight190.28
XLogP2.5
Topological Polar Surface Area29.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity164
SMILES
C1CCN(CC1)CC2=CC(=CC=C2)N
InChI
InChI=1S/C12H18N2/c13-12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10,13H2
InChIKey
SEJNYLBEEMVJNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(1-Piperidinylmethyl)aniline
CAS: 93138-55-7
CID: 6484331
Formula: C12H18N2
MW: 190.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.28
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass190.146998583
Monoisotopic Mass190.146998583
Topological Polar Surface Area29.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity164
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

Related Products

CatalogName
Fr16678-01Compound Fr16678
Fr12671-01Compound Fr12671
Fr12675-01Compound Fr12675
Fr12478-01Compound Fr12478
Fr12278-01Compound Fr12278
Fr12688-01Compound Fr12688
Fr12658-01Compound Fr12658
Fr13678-01Compound Fr13678
Fr12674-01Compound Fr12674
Fr12670-01Compound Fr12670

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-U00358Compound 2
255023-01Compound 401
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34
MBS3613725-01Compound 3344
MBS3613444-01Compound W
ALX-270-455-M005Compound 15e

Popular Products