(+-)-Anabasine

C10H14N2 — CID 2181

IUPAC3-piperidin-2-ylpyridine
SMILESC1CCNC(C1)C2=CN=CC=C2
InChIInChI=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
InChIKeyMTXSIJUGVMTTMU-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.00
Rot. Bonds1

About (+-)-Anabasine

(+-)-Anabasine (PubChem CID 2181) has the molecular formula C10H14N2 and a molecular weight of 162.23 g/mol. Its IUPAC name is 3-piperidin-2-ylpyridine.

Molecular Properties

Compound Name(+-)-Anabasine
PubChem CID2181
Molecular FormulaC10H14N2
Molecular Weight162.23 g/mol
Exact Mass162.12
IUPAC Name3-piperidin-2-ylpyridine
SMILESC1CCNC(C1)C2=CN=CC=C2
InChIInChI=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
InChIKeyMTXSIJUGVMTTMU-UHFFFAOYSA-N
XLogP1.00
TPSA24.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity136

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotine
CID 89594
Anabasine
CID 205586
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Prothionamide
CID 666418
3-(Pyrrolidin-2-yl)pyridine
CID 412
Paraquat
CID 15939
Myosmine
CID 442649
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
N-Nitrosonornicotine
CID 12613538
5-Ethyl-2-methylpyridine
CID 7728

Frequently Asked Questions

What is the IUPAC name of (+-)-Anabasine?
The IUPAC name of (+-)-Anabasine (CID 2181) is 3-piperidin-2-ylpyridine.
What is the SMILES notation for (+-)-Anabasine?
The canonical SMILES for (+-)-Anabasine is C1CCNC(C1)C2=CN=CC=C2.
What is the InChIKey of (+-)-Anabasine?
The InChIKey is MTXSIJUGVMTTMU-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of (+-)-Anabasine?
(+-)-Anabasine has a molecular weight of 162.23 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (+-)-Anabasine is sourced from PubChem (CID 2181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).