ethyl 4-(piperidin-3-ylmethoxy)benzoate

C15H21NO3 — CID 24902373

IUPACethyl 4-(piperidin-3-ylmethoxy)benzoate
SMILESCCOC(=O)c1ccc(OCC2CCCNC2)cc1
InChIInChI=1S/C15H21NO3/c1-2-18-15(17)13-5-7-14(8-6-13)19-11-12-4-3-9-16-10-12/h5-8,12,16H,2-4,9-11H2,1H3
InChIKeyBGPGATLUMUSMRB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.24
Rot. Bonds5

About ethyl 4-(piperidin-3-ylmethoxy)benzoate

ethyl 4-(piperidin-3-ylmethoxy)benzoate (PubChem CID 24902373) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 4-(piperidin-3-ylmethoxy)benzoate.

Molecular Properties

Compound Nameethyl 4-(piperidin-3-ylmethoxy)benzoate
PubChem CID24902373
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 4-(piperidin-3-ylmethoxy)benzoate
SMILESCCOC(=O)c1ccc(OCC2CCCNC2)cc1
InChIInChI=1S/C15H21NO3/c1-2-18-15(17)13-5-7-14(8-6-13)19-11-12-4-3-9-16-10-12/h5-8,12,16H,2-4,9-11H2,1H3
InChIKeyBGPGATLUMUSMRB-UHFFFAOYSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830939
ethyl 4-[(3S)-piperidin-3-yl]benzoate
CID 176561746
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
ethyl 2-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830906
ethyl 4-(morpholin-2-ylmethoxy)benzoate
CID 19983185
(4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone
CID 95169844
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
piperidin-3-ylmethyl benzoate
CID 53409803
2-amino-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone
CID 170861087
(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine
CID 86321325
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
ethyl 4-pyrrolidin-3-ylbenzoate
CID 116988515

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(piperidin-3-ylmethoxy)benzoate?
The IUPAC name of ethyl 4-(piperidin-3-ylmethoxy)benzoate (CID 24902373) is ethyl 4-(piperidin-3-ylmethoxy)benzoate.
What is the SMILES notation for ethyl 4-(piperidin-3-ylmethoxy)benzoate?
The canonical SMILES for ethyl 4-(piperidin-3-ylmethoxy)benzoate is CCOC(=O)c1ccc(OCC2CCCNC2)cc1.
What is the InChIKey of ethyl 4-(piperidin-3-ylmethoxy)benzoate?
The InChIKey is BGPGATLUMUSMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-18-15(17)13-5-7-14(8-6-13)19-11-12-4-3-9-16-10-12/h5-8,12,16H,2-4,9-11H2,1H3.
What are the key properties of ethyl 4-(piperidin-3-ylmethoxy)benzoate?
ethyl 4-(piperidin-3-ylmethoxy)benzoate has a molecular weight of 263.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(piperidin-3-ylmethoxy)benzoate is sourced from PubChem (CID 24902373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).