ethyl 1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidine-3-carboxylate;hydrochloride

C19H28ClNO4 — CID 6460264

IUPACethyl 1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidine-3-carboxylate;hydrochloride
SMILESC=CCOc1ccc(OCCN2CCCC(C(=O)OCC)C2)cc1.Cl
InChIInChI=1S/C19H27NO4.ClH/c1-3-13-23-17-7-9-18(10-8-17)24-14-12-20-11-5-6-16(15-20)19(21)22-4-2;/h3,7-10,16H,1,4-6,11-15H2,2H3;1H
InChIKeyOYYAEJNAFSQHOE-UHFFFAOYSA-N
MW369.89 g/mol
LogP3.33
Rot. Bonds9

About ethyl 1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidine-3-carboxylate;hydrochloride

ethyl 1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidine-3-carboxylate;hydrochloride (PubChem CID 6460264) has the molecular formula C19H28ClNO4 and a molecular weight of 369.89 g/mol. Its IUPAC name is ethyl 1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidine-3-carboxylate;hydrochloride
PubChem CID6460264
Molecular FormulaC19H28ClNO4
Molecular Weight369.89 g/mol
Exact Mass369.17
IUPAC Nameethyl 1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidine-3-carboxylate;hydrochloride
SMILESC=CCOc1ccc(OCCN2CCCC(C(=O)OCC)C2)cc1.Cl
InChIInChI=1S/C19H27NO4.ClH/c1-3-13-23-17-7-9-18(10-8-17)24-14-12-20-11-5-6-16(15-20)19(21)22-4-2;/h3,7-10,16H,1,4-6,11-15H2,2H3;1H
InChIKeyOYYAEJNAFSQHOE-UHFFFAOYSA-N
XLogP3.33
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate
CID 6459024
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
ethyl 1-(3-methylbut-3-enyl)piperidine-3-carboxylate
CID 114448848
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-dodecylpiperidine-3-carboxylate;hydrochloride
CID 117069127
ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
CID 27186861
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride
CID 6603291
ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
CID 81361898

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidine-3-carboxylate;hydrochloride (CID 6460264) is ethyl 1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidine-3-carboxylate;hydrochloride is C=CCOc1ccc(OCCN2CCCC(C(=O)OCC)C2)cc1.Cl.
What is the InChIKey of ethyl 1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidine-3-carboxylate;hydrochloride?
The InChIKey is OYYAEJNAFSQHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4.ClH/c1-3-13-23-17-7-9-18(10-8-17)24-14-12-20-11-5-6-16(15-20)19(21)22-4-2;/h3,7-10,16H,1,4-6,11-15H2,2H3;1H.
What are the key properties of ethyl 1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidine-3-carboxylate;hydrochloride?
ethyl 1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidine-3-carboxylate;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 6460264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).