4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine

C17H27N3O — CID 82886408

IUPAC4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine
SMILESCOc1cc(C)nc(CN2CCCC(C3CCCN3)C2)c1
InChIInChI=1S/C17H27N3O/c1-13-9-16(21-2)10-15(19-13)12-20-8-4-5-14(11-20)17-6-3-7-18-17/h9-10,14,17-18H,3-8,11-12H2,1-2H3
InChIKeyDWFXOLJCKOEUBA-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.36
Rot. Bonds4

About 4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine

4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine (PubChem CID 82886408) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine
PubChem CID82886408
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine
SMILESCOc1cc(C)nc(CN2CCCC(C3CCCN3)C2)c1
InChIInChI=1S/C17H27N3O/c1-13-9-16(21-2)10-15(19-13)12-20-8-4-5-14(11-20)17-6-3-7-18-17/h9-10,14,17-18H,3-8,11-12H2,1-2H3
InChIKeyDWFXOLJCKOEUBA-UHFFFAOYSA-N
XLogP2.36
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine (CID 82886408) is 4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine is COc1cc(C)nc(CN2CCCC(C3CCCN3)C2)c1.
What is the InChIKey of 4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine?
The InChIKey is DWFXOLJCKOEUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-9-16(21-2)10-15(19-13)12-20-8-4-5-14(11-20)17-6-3-7-18-17/h9-10,14,17-18H,3-8,11-12H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine?
4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine has a molecular weight of 289.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 82886408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).