6-chloro-5-methoxy-N-piperidin-1-ylpyridin-3-amine

C11H16ClN3O — CID 54001708

IUPAC6-chloro-5-methoxy-N-piperidin-1-ylpyridin-3-amine
SMILESCOc1cc(NN2CCCCC2)cnc1Cl
InChIInChI=1S/C11H16ClN3O/c1-16-10-7-9(8-13-11(10)12)14-15-5-3-2-4-6-15/h7-8,14H,2-6H2,1H3
InChIKeyKMBUMNHKWXQPFB-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.56
Rot. Bonds3

About 6-chloro-5-methoxy-N-piperidin-1-ylpyridin-3-amine

6-chloro-5-methoxy-N-piperidin-1-ylpyridin-3-amine (PubChem CID 54001708) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-chloro-5-methoxy-N-piperidin-1-ylpyridin-3-amine.

Molecular Properties

Compound Name6-chloro-5-methoxy-N-piperidin-1-ylpyridin-3-amine
PubChem CID54001708
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name6-chloro-5-methoxy-N-piperidin-1-ylpyridin-3-amine
SMILESCOc1cc(NN2CCCCC2)cnc1Cl
InChIInChI=1S/C11H16ClN3O/c1-16-10-7-9(8-13-11(10)12)14-15-5-3-2-4-6-15/h7-8,14H,2-6H2,1H3
InChIKeyKMBUMNHKWXQPFB-UHFFFAOYSA-N
XLogP2.56
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-N-pyrrolidin-1-ylpyridin-3-amine
CID 54544915
(2R)-2-(6-chloro-5-methoxy-3-pyridinyl)piperidin-1-amine
CID 141031286
2-chloro-3-methoxy-5-methylpyridine
CID 46318108
4,5-dimethoxy-2-N-piperidin-1-ylbenzene-1,2-diamine
CID 83005355
6-chloro-5-methoxypyridine-3-carbonitrile
CID 53395594
(6-chloro-5-methoxy-3-pyridinyl)methanol
CID 59297074
2-fluoro-5-methoxy-1-N-piperidin-1-ylbenzene-1,4-diamine
CID 107259505
3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298771
5-chloro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53164660
azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone
CID 109196845
5-chloro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298753
azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone
CID 109196793

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-N-piperidin-1-ylpyridin-3-amine?
The IUPAC name of 6-chloro-5-methoxy-N-piperidin-1-ylpyridin-3-amine (CID 54001708) is 6-chloro-5-methoxy-N-piperidin-1-ylpyridin-3-amine.
What is the SMILES notation for 6-chloro-5-methoxy-N-piperidin-1-ylpyridin-3-amine?
The canonical SMILES for 6-chloro-5-methoxy-N-piperidin-1-ylpyridin-3-amine is COc1cc(NN2CCCCC2)cnc1Cl.
What is the InChIKey of 6-chloro-5-methoxy-N-piperidin-1-ylpyridin-3-amine?
The InChIKey is KMBUMNHKWXQPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-16-10-7-9(8-13-11(10)12)14-15-5-3-2-4-6-15/h7-8,14H,2-6H2,1H3.
What are the key properties of 6-chloro-5-methoxy-N-piperidin-1-ylpyridin-3-amine?
6-chloro-5-methoxy-N-piperidin-1-ylpyridin-3-amine has a molecular weight of 241.72 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-N-piperidin-1-ylpyridin-3-amine is sourced from PubChem (CID 54001708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).