2-chloro-4-methoxy-3-piperidin-3-ylpyridine

C11H15ClN2O — CID 84690868

IUPAC2-chloro-4-methoxy-3-piperidin-3-ylpyridine
SMILESCOc1ccnc(Cl)c1C1CCCNC1
InChIInChI=1S/C11H15ClN2O/c1-15-9-4-6-14-11(12)10(9)8-3-2-5-13-7-8/h4,6,8,13H,2-3,5,7H2,1H3
InChIKeyKZNHDUGNYNDULI-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.21
Rot. Bonds2

About 2-chloro-4-methoxy-3-piperidin-3-ylpyridine

2-chloro-4-methoxy-3-piperidin-3-ylpyridine (PubChem CID 84690868) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-4-methoxy-3-piperidin-3-ylpyridine.

Molecular Properties

Compound Name2-chloro-4-methoxy-3-piperidin-3-ylpyridine
PubChem CID84690868
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-chloro-4-methoxy-3-piperidin-3-ylpyridine
SMILESCOc1ccnc(Cl)c1C1CCCNC1
InChIInChI=1S/C11H15ClN2O/c1-15-9-4-6-14-11(12)10(9)8-3-2-5-13-7-8/h4,6,8,13H,2-3,5,7H2,1H3
InChIKeyKZNHDUGNYNDULI-UHFFFAOYSA-N
XLogP2.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-4-methoxy-3-piperidin-3-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
3-(2-chloro-4,5-dimethoxyphenyl)piperidine
CID 117392623
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
3-[2-(1-fluoroethyl)-6-methoxyphenyl]piperidine
CID 84700224
2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine
CID 95816648
3-(6-ethyl-2,3-dimethoxyphenyl)piperidine
CID 117376940
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117499540
2-methoxy-5-[(3R)-piperidin-3-yl]pyridine
CID 93478601
3-(1H-imidazol-2-yl)piperidine
CID 13281195
3-(4-methoxyphenyl)piperidine
CID 12937920
1-methoxy-6-piperidin-3-ylisoquinoline
CID 117358121

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-3-piperidin-3-ylpyridine?
The IUPAC name of 2-chloro-4-methoxy-3-piperidin-3-ylpyridine (CID 84690868) is 2-chloro-4-methoxy-3-piperidin-3-ylpyridine.
What is the SMILES notation for 2-chloro-4-methoxy-3-piperidin-3-ylpyridine?
The canonical SMILES for 2-chloro-4-methoxy-3-piperidin-3-ylpyridine is COc1ccnc(Cl)c1C1CCCNC1.
What is the InChIKey of 2-chloro-4-methoxy-3-piperidin-3-ylpyridine?
The InChIKey is KZNHDUGNYNDULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-15-9-4-6-14-11(12)10(9)8-3-2-5-13-7-8/h4,6,8,13H,2-3,5,7H2,1H3.
What are the key properties of 2-chloro-4-methoxy-3-piperidin-3-ylpyridine?
2-chloro-4-methoxy-3-piperidin-3-ylpyridine has a molecular weight of 226.71 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-3-piperidin-3-ylpyridine is sourced from PubChem (CID 84690868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).