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(3-PIPERIDINOPHENYL) METHYLAMINE

CAT: 0931-Fr12672-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12672-01Size:200 mg
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CAS Number
175696-71-6
Purity
≥95%
Bioactivity
(3-PIPERIDINOPHENYL) METHYLAMINE, with CAS No. 175696-71-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. (3-PIPERIDINOPHENYL) METHYLAMINE 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
NCc1cccc(c1)N1CCCCC1
Molecular Formula
C12H18N2
Molecular Weight
190.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(3-(1-Piperidyl)phenyl)methanamine
CAS Number175696-71-6
PubChem CID2795553
IUPAC Name(3-piperidin-1-ylphenyl)methanamine
Molecular FormulaC12H18N2
Molecular Weight190.28
XLogP1.7
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)C2=CC=CC(=C2)CN
InChI
InChI=1S/C12H18N2/c13-10-11-5-4-6-12(9-11)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10,13H2
InChIKey
BISSHLVDQOLHNQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-(1-Piperidyl)phenyl)methanamine
CAS: 175696-71-6
CID: 2795553
Formula: C12H18N2
MW: 190.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight190.28
XLogP31.7
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

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