methyl 4-piperidin-3-yloxybenzoate

C13H17NO3 — CID 53410618

IUPACmethyl 4-piperidin-3-yloxybenzoate
SMILESCOC(=O)c1ccc(OC2CCCNC2)cc1
InChIInChI=1S/C13H17NO3/c1-16-13(15)10-4-6-11(7-5-10)17-12-3-2-8-14-9-12/h4-7,12,14H,2-3,8-9H2,1H3
InChIKeyXKQYHLDWMZYKNJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.60
Rot. Bonds3

About methyl 4-piperidin-3-yloxybenzoate

methyl 4-piperidin-3-yloxybenzoate (PubChem CID 53410618) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 4-piperidin-3-yloxybenzoate.

Molecular Properties

Compound Namemethyl 4-piperidin-3-yloxybenzoate
PubChem CID53410618
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 4-piperidin-3-yloxybenzoate
SMILESCOC(=O)c1ccc(OC2CCCNC2)cc1
InChIInChI=1S/C13H17NO3/c1-16-13(15)10-4-6-11(7-5-10)17-12-3-2-8-14-9-12/h4-7,12,14H,2-3,8-9H2,1H3
InChIKeyXKQYHLDWMZYKNJ-UHFFFAOYSA-N
XLogP1.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-piperidin-3-yl]oxybenzamide
CID 42553466
methyl 4-piperidin-4-yloxybenzoate;hydrochloride
CID 53410621
methyl 4-(piperidin-3-ylmethyl)benzoate
CID 45074031
(3R)-3-phenoxypiperidine
CID 42553363
methyl 4-(3-aminocyclobutyl)oxybenzoate
CID 156504136
1-[4-[4-[(3R)-piperidin-3-yl]oxyphenyl]piperazin-1-yl]ethanone
CID 26191624
3-(4-tert-butylphenoxy)piperidine;molecular hydrogen
CID 144656061
methyl 4-(2-piperidin-3-ylethyl)benzoate
CID 126844861
N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide
CID 86322818
3-(4-propoxyphenoxy)piperidine
CID 53409332
methyl 4-[(3R)-pyrrolidine-3-carbonyl]benzoate
CID 99934590
(3R)-3-(3,4-dimethylphenoxy)piperidine
CID 26191417

Frequently Asked Questions

What is the IUPAC name of methyl 4-piperidin-3-yloxybenzoate?
The IUPAC name of methyl 4-piperidin-3-yloxybenzoate (CID 53410618) is methyl 4-piperidin-3-yloxybenzoate.
What is the SMILES notation for methyl 4-piperidin-3-yloxybenzoate?
The canonical SMILES for methyl 4-piperidin-3-yloxybenzoate is COC(=O)c1ccc(OC2CCCNC2)cc1.
What is the InChIKey of methyl 4-piperidin-3-yloxybenzoate?
The InChIKey is XKQYHLDWMZYKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-13(15)10-4-6-11(7-5-10)17-12-3-2-8-14-9-12/h4-7,12,14H,2-3,8-9H2,1H3.
What are the key properties of methyl 4-piperidin-3-yloxybenzoate?
methyl 4-piperidin-3-yloxybenzoate has a molecular weight of 235.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-piperidin-3-yloxybenzoate is sourced from PubChem (CID 53410618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).