methyl 2-(2-piperidin-4-ylethoxymethyl)benzoate

C16H23NO3 — CID 53410600

IUPACmethyl 2-(2-piperidin-4-ylethoxymethyl)benzoate
SMILESCOC(=O)c1ccccc1COCCC1CCNCC1
InChIInChI=1S/C16H23NO3/c1-19-16(18)15-5-3-2-4-14(15)12-20-11-8-13-6-9-17-10-7-13/h2-5,13,17H,6-12H2,1H3
InChIKeyBXGYLHXNCMVZCS-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.38
Rot. Bonds6

About methyl 2-(2-piperidin-4-ylethoxymethyl)benzoate

methyl 2-(2-piperidin-4-ylethoxymethyl)benzoate (PubChem CID 53410600) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 2-(2-piperidin-4-ylethoxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-piperidin-4-ylethoxymethyl)benzoate
PubChem CID53410600
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 2-(2-piperidin-4-ylethoxymethyl)benzoate
SMILESCOC(=O)c1ccccc1COCCC1CCNCC1
InChIInChI=1S/C16H23NO3/c1-19-16(18)15-5-3-2-4-14(15)12-20-11-8-13-6-9-17-10-7-13/h2-5,13,17H,6-12H2,1H3
InChIKeyBXGYLHXNCMVZCS-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride
CID 56831193
methyl 2-hydroxy-3-(piperidin-4-ylmethyl)benzoate
CID 118948751
2-(2-cyclobutylethoxymethyl)benzoic acid
CID 106199375
4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56829895
methyl 2-(2-prop-2-enoxyethoxymethyl)benzoate
CID 145437677
methyl 2-(azetidin-3-yloxymethyl)benzoate
CID 53410594
ethane;methyl 2-(4-prop-2-enoxybutoxymethyl)benzoate
CID 145437949
methyl 4-(2-pyrrolidin-3-ylethoxymethyl)benzoate
CID 106940966
methyl 2-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]benzoate
CID 134275170
methyl 2-(2-azidoethoxymethyl)benzoate
CID 170346138
methyl 2-(piperazin-1-ylmethyl)benzoate
CID 44829012
methyl 2-[[(3S)-pyrrolidin-3-yl]methoxy]benzoate
CID 86320528

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-piperidin-4-ylethoxymethyl)benzoate?
The IUPAC name of methyl 2-(2-piperidin-4-ylethoxymethyl)benzoate (CID 53410600) is methyl 2-(2-piperidin-4-ylethoxymethyl)benzoate.
What is the SMILES notation for methyl 2-(2-piperidin-4-ylethoxymethyl)benzoate?
The canonical SMILES for methyl 2-(2-piperidin-4-ylethoxymethyl)benzoate is COC(=O)c1ccccc1COCCC1CCNCC1.
What is the InChIKey of methyl 2-(2-piperidin-4-ylethoxymethyl)benzoate?
The InChIKey is BXGYLHXNCMVZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-19-16(18)15-5-3-2-4-14(15)12-20-11-8-13-6-9-17-10-7-13/h2-5,13,17H,6-12H2,1H3.
What are the key properties of methyl 2-(2-piperidin-4-ylethoxymethyl)benzoate?
methyl 2-(2-piperidin-4-ylethoxymethyl)benzoate has a molecular weight of 277.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-piperidin-4-ylethoxymethyl)benzoate is sourced from PubChem (CID 53410600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).