Compound Fr13076

CAT: 0931-Fr13076-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-Fr13076-01Size:50 mg

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CAS Number

67686-01-5

Bioactivity

Compound Fr13076, with CAS No. 67686-01-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13076 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

OCC1CCN(CC2=CC=CC=C2)CC1

Molecular Formula

C13H19NO

Molecular Weight

205.3

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

(1-Benzylpiperidin-4-yl)methanol

CAS Number	67686-01-5
PubChem CID	736802
IUPAC Name	(1-benzylpiperidin-4-yl)methanol
Molecular Formula	C13H19NO
Molecular Weight	205.30
XLogP	1.8
Topological Polar Surface Area	23.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	169

SMILES

C1CN(CCC1CO)CC2=CC=CC=C2

InChI

InChI=1S/C13H19NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2

InChIKey

FLQPYEOKVZYXRL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 67686-01-5

CID: 736802

Formula: C13H19NO

MW: 205.30

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	205.30
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	205.146664230
Monoisotopic Mass	205.146664230
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	169
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
Fr13067-01	Compound Fr13067
Fr13026-01	Compound Fr13026
Fr13476-01	Compound Fr13476
Fr13077-01	Compound Fr13077
Fr13073-01	Compound Fr13073
Fr13016-01	Compound Fr13016
Fr13876-01	Compound Fr13876
Fr13706-01	Compound Fr13706
Fr13676-01	Compound Fr13676
Fr13078-01	Compound Fr13078

Alternative Products

Catalog	Name
ALX-550-516-M025	Compound A
A8197-5.1	Compound 56
C8444-50	Compound C108
C5824-10	GPR120 Compound A
B7337-5	Compound 401
XXC35825-01	Compound 3a
HY-U00358	Compound 2
HY-14176-01	Compound E
2573-5	Compound 112254
1898-1000	Compound 34

Compound Fr13076

Chemical Information

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