methyl 5-[4-(dimethoxymethyl)piperidin-1-yl]pyridine-2-carboxylate

C15H22N2O4 — CID 171800424

IUPACmethyl 5-[4-(dimethoxymethyl)piperidin-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N2CCC(C(OC)OC)CC2)cn1
InChIInChI=1S/C15H22N2O4/c1-19-14(18)13-5-4-12(10-16-13)17-8-6-11(7-9-17)15(20-2)21-3/h4-5,10-11,15H,6-9H2,1-3H3
InChIKeyPGDRYPDRSAUWDU-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.70
Rot. Bonds5

About methyl 5-[4-(dimethoxymethyl)piperidin-1-yl]pyridine-2-carboxylate

methyl 5-[4-(dimethoxymethyl)piperidin-1-yl]pyridine-2-carboxylate (PubChem CID 171800424) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 5-[4-(dimethoxymethyl)piperidin-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-(dimethoxymethyl)piperidin-1-yl]pyridine-2-carboxylate
PubChem CID171800424
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 5-[4-(dimethoxymethyl)piperidin-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N2CCC(C(OC)OC)CC2)cn1
InChIInChI=1S/C15H22N2O4/c1-19-14(18)13-5-4-12(10-16-13)17-8-6-11(7-9-17)15(20-2)21-3/h4-5,10-11,15H,6-9H2,1-3H3
InChIKeyPGDRYPDRSAUWDU-UHFFFAOYSA-N
XLogP1.70
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-(dimethoxymethyl)piperidin-1-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[4-(dimethoxymethyl)piperidin-1-yl]pyridine-2-carboxylate (CID 171800424) is methyl 5-[4-(dimethoxymethyl)piperidin-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[4-(dimethoxymethyl)piperidin-1-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[4-(dimethoxymethyl)piperidin-1-yl]pyridine-2-carboxylate is COC(=O)c1ccc(N2CCC(C(OC)OC)CC2)cn1.
What is the InChIKey of methyl 5-[4-(dimethoxymethyl)piperidin-1-yl]pyridine-2-carboxylate?
The InChIKey is PGDRYPDRSAUWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-14(18)13-5-4-12(10-16-13)17-8-6-11(7-9-17)15(20-2)21-3/h4-5,10-11,15H,6-9H2,1-3H3.
What are the key properties of methyl 5-[4-(dimethoxymethyl)piperidin-1-yl]pyridine-2-carboxylate?
methyl 5-[4-(dimethoxymethyl)piperidin-1-yl]pyridine-2-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-(dimethoxymethyl)piperidin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 171800424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).