ethyl 4-(1-methylpiperidin-4-yl)oxybenzoate

C15H21NO3 — CID 162773529

IUPACethyl 4-(1-methylpiperidin-4-yl)oxybenzoate
SMILESCCOC(=O)c1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C15H21NO3/c1-3-18-15(17)12-4-6-13(7-5-12)19-14-8-10-16(2)11-9-14/h4-7,14H,3,8-11H2,1-2H3
InChIKeyBOXIQLMOIKLEFT-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.34
Rot. Bonds4

About ethyl 4-(1-methylpiperidin-4-yl)oxybenzoate

ethyl 4-(1-methylpiperidin-4-yl)oxybenzoate (PubChem CID 162773529) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 4-(1-methylpiperidin-4-yl)oxybenzoate.

Molecular Properties

Compound Nameethyl 4-(1-methylpiperidin-4-yl)oxybenzoate
PubChem CID162773529
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 4-(1-methylpiperidin-4-yl)oxybenzoate
SMILESCCOC(=O)c1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C15H21NO3/c1-3-18-15(17)12-4-6-13(7-5-12)19-14-8-10-16(2)11-9-14/h4-7,14H,3,8-11H2,1-2H3
InChIKeyBOXIQLMOIKLEFT-UHFFFAOYSA-N
XLogP2.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-aminocyclohexyl)oxybenzoate
CID 16756169
bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 56983177
ethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate
CID 43321731
ethyl 3,5-dicyclopropyloxybenzoate
CID 156633394
[4-(1-methylpiperidin-4-yl)oxyphenyl]methanol
CID 84686879
ethyl 3-amino-2-(1-methylpiperidin-4-yl)oxybenzoate
CID 115935772
ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate
CID 84608470
ethyl 4-(4-formylphenoxy)piperidine-1-carboxylate
CID 18980164
ethyl 4-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzoate
CID 138984880
ethane;4-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenoxy]-1-methylpiperidine
CID 143692371
ethyl 4-[1-(5-methylsulfonyl-2-propan-2-yloxybenzoyl)piperidin-4-yl]oxybenzoate
CID 58673065
4-(4-iodophenoxy)-1-methylpiperidine
CID 86710870

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-methylpiperidin-4-yl)oxybenzoate?
The IUPAC name of ethyl 4-(1-methylpiperidin-4-yl)oxybenzoate (CID 162773529) is ethyl 4-(1-methylpiperidin-4-yl)oxybenzoate.
What is the SMILES notation for ethyl 4-(1-methylpiperidin-4-yl)oxybenzoate?
The canonical SMILES for ethyl 4-(1-methylpiperidin-4-yl)oxybenzoate is CCOC(=O)c1ccc(OC2CCN(C)CC2)cc1.
What is the InChIKey of ethyl 4-(1-methylpiperidin-4-yl)oxybenzoate?
The InChIKey is BOXIQLMOIKLEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-18-15(17)12-4-6-13(7-5-12)19-14-8-10-16(2)11-9-14/h4-7,14H,3,8-11H2,1-2H3.
What are the key properties of ethyl 4-(1-methylpiperidin-4-yl)oxybenzoate?
ethyl 4-(1-methylpiperidin-4-yl)oxybenzoate has a molecular weight of 263.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-methylpiperidin-4-yl)oxybenzoate is sourced from PubChem (CID 162773529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).