methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate

C15H21NO3 — CID 86321177

IUPACmethyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
SMILESCOC(=O)c1cccc(OCC[C@H]2CCCCN2)c1
InChIInChI=1S/C15H21NO3/c1-18-15(17)12-5-4-7-14(11-12)19-10-8-13-6-2-3-9-16-13/h4-5,7,11,13,16H,2-3,6,8-10H2,1H3/t13-/m1/s1
InChIKeyKRXALTMLRMTDIK-CYBMUJFWSA-N
MW263.34 g/mol
LogP2.38
Rot. Bonds5

About methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate

methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate (PubChem CID 86321177) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
PubChem CID86321177
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
SMILESCOC(=O)c1cccc(OCC[C@H]2CCCCN2)c1
InChIInChI=1S/C15H21NO3/c1-18-15(17)12-5-4-7-14(11-12)19-10-8-13-6-2-3-9-16-13/h4-5,7,11,13,16H,2-3,6,8-10H2,1H3/t13-/m1/s1
InChIKeyKRXALTMLRMTDIK-CYBMUJFWSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate
CID 162750790
methyl 3-(2-piperidin-2-ylethoxymethyl)benzoate
CID 82353189
(2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine
CID 28749803
methyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride
CID 56830226
N-(piperidin-2-ylmethyl)-3-propoxybenzamide
CID 62919504
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine
CID 82354047
2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine
CID 82354040
(2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine
CID 59752871
1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone
CID 86320597
2-[2-(3-methylphenoxy)ethyl]pyrrolidine
CID 23339440
4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid
CID 94751423
2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride
CID 56830416

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate?
The IUPAC name of methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate (CID 86321177) is methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate.
What is the SMILES notation for methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate?
The canonical SMILES for methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate is COC(=O)c1cccc(OCC[C@H]2CCCCN2)c1.
What is the InChIKey of methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate?
The InChIKey is KRXALTMLRMTDIK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-15(17)12-5-4-7-14(11-12)19-10-8-13-6-2-3-9-16-13/h4-5,7,11,13,16H,2-3,6,8-10H2,1H3/t13-/m1/s1.
What are the key properties of methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate?
methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate has a molecular weight of 263.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate is sourced from PubChem (CID 86321177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).