(R, S) -Anabasine

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CAS Number

13078-04-1

Synonyms

(R, S) -3- (2-Piperidinyl) pyridine; (+/-) -Anabasine; 1,2,3,4,5,6-Hexahydro-[2,3']bipyridinyl; 2- (3-Pyridyl) piperidine; 3- (Piperidin-2-yl) pyridine; DL-Anabasine

Molecular Formula

C10H14N2

Molecular Weight

162.23

API Name

Anabasine

Chemical Information

(+-)-Anabasine

Anabasine is a pyridine alkaloid that is pyridine substituted by a piperidin-2-yl group at position 3. It has a role as a nicotinic acetylcholine receptor agonist, a teratogenic agent and a plant metabolite. It is a piperidine alkaloid and a pyridine alkaloid.

CAS Number	13078-04-1
PubChem CID	2181
IUPAC Name	3-piperidin-2-ylpyridine
Molecular Formula	C10H14N2
Molecular Weight	162.23
XLogP	1
Topological Polar Surface Area	24.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	136

SMILES

C1CCNC(C1)C2=CN=CC=C2

InChI

InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2

InChIKey

MTXSIJUGVMTTMU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13078-04-1

CID: 2181

Formula: C10H14N2

MW: 162.23

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	162.23
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	162.115698455
Monoisotopic Mass	162.115698455
Topological Polar Surface Area	24.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	136
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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AR-C07576-01	(R, S, R) -Cilazapril
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Alternative Products

Catalog	Name
BA6804-25	Anabasine
BUP06932	(±) Anabasine
23385847	(+/-) -Anabasine
MBS3610517-01	(+/-) Anabasine
CS-O-30527	(Â±) -Anabasine
B6903-500	(+)-Anabasine hydrochloride
HY-W698871-01	(±) Anabasine-d4
HY-W209279	(±) Anabasine (hydrochloride)
HY-W052144R-01	(±) Anabasine (Standard)
254631	(+) -Anabasine hydrochloride

(R, S) -Anabasine

Chemical Information

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