methyl 3-(2-piperidin-2-ylethoxymethyl)benzoate

C16H23NO3 — CID 82353189

IUPACmethyl 3-(2-piperidin-2-ylethoxymethyl)benzoate
SMILESCOC(=O)c1cccc(COCCC2CCCCN2)c1
InChIInChI=1S/C16H23NO3/c1-19-16(18)14-6-4-5-13(11-14)12-20-10-8-15-7-2-3-9-17-15/h4-6,11,15,17H,2-3,7-10,12H2,1H3
InChIKeyVBVBFGNLHQEBLD-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.52
Rot. Bonds6

About methyl 3-(2-piperidin-2-ylethoxymethyl)benzoate

methyl 3-(2-piperidin-2-ylethoxymethyl)benzoate (PubChem CID 82353189) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 3-(2-piperidin-2-ylethoxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-piperidin-2-ylethoxymethyl)benzoate
PubChem CID82353189
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 3-(2-piperidin-2-ylethoxymethyl)benzoate
SMILESCOC(=O)c1cccc(COCCC2CCCCN2)c1
InChIInChI=1S/C16H23NO3/c1-19-16(18)14-6-4-5-13(11-14)12-20-10-8-15-7-2-3-9-17-15/h4-6,11,15,17H,2-3,7-10,12H2,1H3
InChIKeyVBVBFGNLHQEBLD-UHFFFAOYSA-N
XLogP2.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
CID 86321177
2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine
CID 62342977
methyl 3-[2-(2-propoxyethoxy)ethoxymethyl]benzoate
CID 157191874
methyl 3-(2-piperazin-1-ylethoxymethyl)benzoate
CID 82353020
2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine
CID 56830572
2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine
CID 82354040
methyl 3-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate
CID 162750790
benzyl 4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoate
CID 86321634
2-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidine
CID 82354069
methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride
CID 56830628
methyl 3-piperidin-2-ylbenzoate;hydrochloride
CID 91798908
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine
CID 82354047

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-piperidin-2-ylethoxymethyl)benzoate?
The IUPAC name of methyl 3-(2-piperidin-2-ylethoxymethyl)benzoate (CID 82353189) is methyl 3-(2-piperidin-2-ylethoxymethyl)benzoate.
What is the SMILES notation for methyl 3-(2-piperidin-2-ylethoxymethyl)benzoate?
The canonical SMILES for methyl 3-(2-piperidin-2-ylethoxymethyl)benzoate is COC(=O)c1cccc(COCCC2CCCCN2)c1.
What is the InChIKey of methyl 3-(2-piperidin-2-ylethoxymethyl)benzoate?
The InChIKey is VBVBFGNLHQEBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-19-16(18)14-6-4-5-13(11-14)12-20-10-8-15-7-2-3-9-17-15/h4-6,11,15,17H,2-3,7-10,12H2,1H3.
What are the key properties of methyl 3-(2-piperidin-2-ylethoxymethyl)benzoate?
methyl 3-(2-piperidin-2-ylethoxymethyl)benzoate has a molecular weight of 277.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-piperidin-2-ylethoxymethyl)benzoate is sourced from PubChem (CID 82353189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).