ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate

C19H29NO4 — CID 6457402

IUPACethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate
SMILESCCCOc1ccccc1OCCN1CCC(C(=O)OCC)CC1
InChIInChI=1S/C19H29NO4/c1-3-14-23-17-7-5-6-8-18(17)24-15-13-20-11-9-16(10-12-20)19(21)22-4-2/h5-8,16H,3-4,9-15H2,1-2H3
InChIKeyGWLDWGAVTYBMDC-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.13
Rot. Bonds9

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

ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate (PubChem CID 6457402) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate
PubChem CID6457402
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Nameethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate
SMILESCCCOc1ccccc1OCCN1CCC(C(=O)OCC)CC1
InChIInChI=1S/C19H29NO4/c1-3-14-23-17-7-5-6-8-18(17)24-15-13-20-11-9-16(10-12-20)19(21)22-4-2/h5-8,16H,3-4,9-15H2,1-2H3
InChIKeyGWLDWGAVTYBMDC-UHFFFAOYSA-N
XLogP3.13
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[4-(2-bromophenoxy)butyl]piperidine-4-carboxylate
CID 6460985
ethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate
CID 6458009
ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
CID 27186861
ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate
CID 6459062
ethyl 1-(2-anilinoethyl)piperidine-4-carboxylate
CID 71035315
ethyl 1-[4-(2-chloro-4-methylphenoxy)butyl]piperidine-4-carboxylate
CID 6460755
ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid
CID 119908222
[1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909159
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
ethyl 1-[N-ethyl-N'-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111155888
ethyl 1-[2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl]piperidine-4-carboxylate
CID 23553352

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate (CID 6457402) is ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate is CCCOc1ccccc1OCCN1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate?
The InChIKey is GWLDWGAVTYBMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-3-14-23-17-7-5-6-8-18(17)24-15-13-20-11-9-16(10-12-20)19(21)22-4-2/h5-8,16H,3-4,9-15H2,1-2H3.
What are the key properties of ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate?
ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate has a molecular weight of 335.44 g/mol, XLogP of 3.13, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 6457402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).