2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine

C22H31N3O — CID 153376751

IUPAC2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine
SMILESCOc1ccc(C)c([C@@H](C)N2CCC[C@H](Cc3cc(C)nc(C)c3)C2)n1
InChIInChI=1S/C22H31N3O/c1-15-8-9-21(26-5)24-22(15)18(4)25-10-6-7-19(14-25)13-20-11-16(2)23-17(3)12-20/h8-9,11-12,18-19H,6-7,10,13-14H2,1-5H3/t18-,19-/m1/s1
InChIKeyFEVVGXRVXITZTM-RTBURBONSA-N
MW353.51 g/mol
LogP4.43
Rot. Bonds5

About 2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine

2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine (PubChem CID 153376751) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine.

Molecular Properties

Compound Name2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine
PubChem CID153376751
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine
SMILESCOc1ccc(C)c([C@@H](C)N2CCC[C@H](Cc3cc(C)nc(C)c3)C2)n1
InChIInChI=1S/C22H31N3O/c1-15-8-9-21(26-5)24-22(15)18(4)25-10-6-7-19(14-25)13-20-11-16(2)23-17(3)12-20/h8-9,11-12,18-19H,6-7,10,13-14H2,1-5H3/t18-,19-/m1/s1
InChIKeyFEVVGXRVXITZTM-RTBURBONSA-N
XLogP4.43
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine?
The IUPAC name of 2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine (CID 153376751) is 2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine.
What is the SMILES notation for 2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine?
The canonical SMILES for 2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine is COc1ccc(C)c([C@@H](C)N2CCC[C@H](Cc3cc(C)nc(C)c3)C2)n1.
What is the InChIKey of 2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine?
The InChIKey is FEVVGXRVXITZTM-RTBURBONSA-N. The full InChI is InChI=1S/C22H31N3O/c1-15-8-9-21(26-5)24-22(15)18(4)25-10-6-7-19(14-25)13-20-11-16(2)23-17(3)12-20/h8-9,11-12,18-19H,6-7,10,13-14H2,1-5H3/t18-,19-/m1/s1.
What are the key properties of 2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine?
2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine has a molecular weight of 353.51 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine is sourced from PubChem (CID 153376751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).