ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate

C16H23NO3 — CID 86320486

IUPACethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
SMILESCCOC(=O)c1ccccc1OCC[C@H]1CCCCN1
InChIInChI=1S/C16H23NO3/c1-2-19-16(18)14-8-3-4-9-15(14)20-12-10-13-7-5-6-11-17-13/h3-4,8-9,13,17H,2,5-7,10-12H2,1H3/t13-/m1/s1
InChIKeyPKSCJMJCQRURNE-CYBMUJFWSA-N
MW277.36 g/mol
LogP2.77
Rot. Bonds6

About ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate

ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate (PubChem CID 86320486) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate.

Molecular Properties

Compound Nameethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
PubChem CID86320486
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
SMILESCCOC(=O)c1ccccc1OCC[C@H]1CCCCN1
InChIInChI=1S/C16H23NO3/c1-2-19-16(18)14-8-3-4-9-15(14)20-12-10-13-7-5-6-11-17-13/h3-4,8-9,13,17H,2,5-7,10-12H2,1H3/t13-/m1/s1
InChIKeyPKSCJMJCQRURNE-CYBMUJFWSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride
CID 56829802
1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one
CID 116563723
2-ethoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide
CID 43187149
2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
ethyl 2-(piperidin-2-ylmethoxy)pyridine-3-carboxylate
CID 62349275
2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 43149996
ethyl 2-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830906
2-(2-piperidin-2-ylethoxy)pyridine-3-carboxamide
CID 62347441
ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
CID 56829770
2-methyl-4-(2-piperidin-2-ylethoxy)benzamide
CID 81276506
2-(2-ethoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513373
2-[2-(2,3-dimethoxyphenoxy)ethyl]piperidine
CID 112500840

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate?
The IUPAC name of ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate (CID 86320486) is ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate.
What is the SMILES notation for ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate?
The canonical SMILES for ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate is CCOC(=O)c1ccccc1OCC[C@H]1CCCCN1.
What is the InChIKey of ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate?
The InChIKey is PKSCJMJCQRURNE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-19-16(18)14-8-3-4-9-15(14)20-12-10-13-7-5-6-11-17-13/h3-4,8-9,13,17H,2,5-7,10-12H2,1H3/t13-/m1/s1.
What are the key properties of ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate?
ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate has a molecular weight of 277.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate is sourced from PubChem (CID 86320486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).