benzyl 4-methoxy-2-piperidin-4-yloxybenzoate

C20H23NO4 — CID 71586561

IUPACbenzyl 4-methoxy-2-piperidin-4-yloxybenzoate
SMILESCOc1ccc(C(=O)OCc2ccccc2)c(OC2CCNCC2)c1
InChIInChI=1S/C20H23NO4/c1-23-17-7-8-18(19(13-17)25-16-9-11-21-12-10-16)20(22)24-14-15-5-3-2-4-6-15/h2-8,13,16,21H,9-12,14H2,1H3
InChIKeyHYIIPRBBRFNXCS-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.18
Rot. Bonds6

About benzyl 4-methoxy-2-piperidin-4-yloxybenzoate

benzyl 4-methoxy-2-piperidin-4-yloxybenzoate (PubChem CID 71586561) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is benzyl 4-methoxy-2-piperidin-4-yloxybenzoate.

Molecular Properties

Compound Namebenzyl 4-methoxy-2-piperidin-4-yloxybenzoate
PubChem CID71586561
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namebenzyl 4-methoxy-2-piperidin-4-yloxybenzoate
SMILESCOc1ccc(C(=O)OCc2ccccc2)c(OC2CCNCC2)c1
InChIInChI=1S/C20H23NO4/c1-23-17-7-8-18(19(13-17)25-16-9-11-21-12-10-16)20(22)24-14-15-5-3-2-4-6-15/h2-8,13,16,21H,9-12,14H2,1H3
InChIKeyHYIIPRBBRFNXCS-UHFFFAOYSA-N
XLogP3.18
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-methoxy-2-piperidin-4-yloxybenzoate?
The IUPAC name of benzyl 4-methoxy-2-piperidin-4-yloxybenzoate (CID 71586561) is benzyl 4-methoxy-2-piperidin-4-yloxybenzoate.
What is the SMILES notation for benzyl 4-methoxy-2-piperidin-4-yloxybenzoate?
The canonical SMILES for benzyl 4-methoxy-2-piperidin-4-yloxybenzoate is COc1ccc(C(=O)OCc2ccccc2)c(OC2CCNCC2)c1.
What is the InChIKey of benzyl 4-methoxy-2-piperidin-4-yloxybenzoate?
The InChIKey is HYIIPRBBRFNXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-23-17-7-8-18(19(13-17)25-16-9-11-21-12-10-16)20(22)24-14-15-5-3-2-4-6-15/h2-8,13,16,21H,9-12,14H2,1H3.
What are the key properties of benzyl 4-methoxy-2-piperidin-4-yloxybenzoate?
benzyl 4-methoxy-2-piperidin-4-yloxybenzoate has a molecular weight of 341.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-methoxy-2-piperidin-4-yloxybenzoate is sourced from PubChem (CID 71586561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).