methyl 1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylate

C16H23NO3 — CID 115279155

IUPACmethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CCOc1ccc(C)cc1
InChIInChI=1S/C16H23NO3/c1-13-6-8-14(9-7-13)20-12-11-17-10-4-3-5-15(17)16(18)19-2/h6-9,15H,3-5,10-12H2,1-2H3
InChIKeyGLMPMXDNMIYHRI-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.40
Rot. Bonds5

About methyl 1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylate

methyl 1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylate (PubChem CID 115279155) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylate
PubChem CID115279155
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CCOc1ccc(C)cc1
InChIInChI=1S/C16H23NO3/c1-13-6-8-14(9-7-13)20-12-11-17-10-4-3-5-15(17)16(18)19-2/h6-9,15H,3-5,10-12H2,1-2H3
InChIKeyGLMPMXDNMIYHRI-UHFFFAOYSA-N
XLogP2.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate
CID 63382826
methyl (2R)-1-[2-[4-(cyanomethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate
CID 96547821
methyl (2S)-1-[3-(4-cyanophenoxy)propyl]pyrrolidine-2-carboxylate
CID 97213800
1-[2-(3-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 43441222
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
(2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 93049136
3-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 107072281
methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate
CID 113330911
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
methyl 1-(4-phenylbutyl)piperidine-2-carboxylate
CID 114334490
methyl 1-[3-(2-iodophenoxy)propyl]piperidine-2-carboxylate
CID 170456399
(2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 79035326

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylate (CID 115279155) is methyl 1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1CCOc1ccc(C)cc1.
What is the InChIKey of methyl 1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylate?
The InChIKey is GLMPMXDNMIYHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-13-6-8-14(9-7-13)20-12-11-17-10-4-3-5-15(17)16(18)19-2/h6-9,15H,3-5,10-12H2,1-2H3.
What are the key properties of methyl 1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylate?
methyl 1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylate is sourced from PubChem (CID 115279155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).