ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate

C17H25NO3 — CID 6459024

IUPACethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCOc2ccc(C)cc2)C1
InChIInChI=1S/C17H25NO3/c1-3-20-17(19)15-5-4-10-18(13-15)11-12-21-16-8-6-14(2)7-9-16/h6-9,15H,3-5,10-13H2,1-2H3
InChIKeyOEAFBQXHXIYMAR-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.65
Rot. Bonds6

About ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate

ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate (PubChem CID 6459024) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate
PubChem CID6459024
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCOc2ccc(C)cc2)C1
InChIInChI=1S/C17H25NO3/c1-3-20-17(19)15-5-4-10-18(13-15)11-12-21-16-8-6-14(2)7-9-16/h6-9,15H,3-5,10-13H2,1-2H3
InChIKeyOEAFBQXHXIYMAR-UHFFFAOYSA-N
XLogP2.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidine-3-carboxylate;hydrochloride
CID 6460264
ethyl (3S)-1-[2-(3-chlorophenoxy)ethyl]piperidine-3-carboxylate
CID 27186879
ethyl (3R)-1-[3-(4-phenylmethoxyphenoxy)propyl]piperidine-3-carboxylate
CID 40800660
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
methyl (3S)-1-[2-(4-cyanophenoxy)ethyl]piperidine-3-carboxylate
CID 79037643
ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate
CID 103785584
ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
CID 27186861
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
CID 81361898
ethyl 1-[2-[(4-hydroxyphenyl)-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylate
CID 10553968
ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 51969024
ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylate
CID 2846092

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate (CID 6459024) is ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CCOc2ccc(C)cc2)C1.
What is the InChIKey of ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate?
The InChIKey is OEAFBQXHXIYMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-20-17(19)15-5-4-10-18(13-15)11-12-21-16-8-6-14(2)7-9-16/h6-9,15H,3-5,10-13H2,1-2H3.
What are the key properties of ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate?
ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate is sourced from PubChem (CID 6459024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).