methyl 3-[(1-pyridin-2-ylpiperidin-4-yl)methoxy]benzoate

C19H22N2O3 — CID 90086497

IUPACmethyl 3-[(1-pyridin-2-ylpiperidin-4-yl)methoxy]benzoate
SMILESCOC(=O)c1cccc(OCC2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C19H22N2O3/c1-23-19(22)16-5-4-6-17(13-16)24-14-15-8-11-21(12-9-15)18-7-2-3-10-20-18/h2-7,10,13,15H,8-9,11-12,14H2,1H3
InChIKeyWEJLVPGYWSQBPH-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.16
Rot. Bonds5

About methyl 3-[(1-pyridin-2-ylpiperidin-4-yl)methoxy]benzoate

methyl 3-[(1-pyridin-2-ylpiperidin-4-yl)methoxy]benzoate (PubChem CID 90086497) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 3-[(1-pyridin-2-ylpiperidin-4-yl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[(1-pyridin-2-ylpiperidin-4-yl)methoxy]benzoate
PubChem CID90086497
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl 3-[(1-pyridin-2-ylpiperidin-4-yl)methoxy]benzoate
SMILESCOC(=O)c1cccc(OCC2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C19H22N2O3/c1-23-19(22)16-5-4-6-17(13-16)24-14-15-8-11-21(12-9-15)18-7-2-3-10-20-18/h2-7,10,13,15H,8-9,11-12,14H2,1H3
InChIKeyWEJLVPGYWSQBPH-UHFFFAOYSA-N
XLogP3.16
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-pyridin-2-ylpiperidin-4-yl)methoxy]benzoate?
The IUPAC name of methyl 3-[(1-pyridin-2-ylpiperidin-4-yl)methoxy]benzoate (CID 90086497) is methyl 3-[(1-pyridin-2-ylpiperidin-4-yl)methoxy]benzoate.
What is the SMILES notation for methyl 3-[(1-pyridin-2-ylpiperidin-4-yl)methoxy]benzoate?
The canonical SMILES for methyl 3-[(1-pyridin-2-ylpiperidin-4-yl)methoxy]benzoate is COC(=O)c1cccc(OCC2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of methyl 3-[(1-pyridin-2-ylpiperidin-4-yl)methoxy]benzoate?
The InChIKey is WEJLVPGYWSQBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-19(22)16-5-4-6-17(13-16)24-14-15-8-11-21(12-9-15)18-7-2-3-10-20-18/h2-7,10,13,15H,8-9,11-12,14H2,1H3.
What are the key properties of methyl 3-[(1-pyridin-2-ylpiperidin-4-yl)methoxy]benzoate?
methyl 3-[(1-pyridin-2-ylpiperidin-4-yl)methoxy]benzoate has a molecular weight of 326.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-pyridin-2-ylpiperidin-4-yl)methoxy]benzoate is sourced from PubChem (CID 90086497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).