ethyl 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride

C19H28ClNO5 — CID 6603283

IUPACethyl 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(CC(O)COc2ccc(C(C)=O)cc2)CC1.Cl
InChIInChI=1S/C19H27NO5.ClH/c1-3-24-19(23)16-8-10-20(11-9-16)12-17(22)13-25-18-6-4-15(5-7-18)14(2)21;/h4-7,16-17,22H,3,8-13H2,1-2H3;1H
InChIKeyXJQZSUXZDDNIFB-UHFFFAOYSA-N
MW385.89 g/mol
LogP2.33
Rot. Bonds8

About ethyl 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride

ethyl 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride (PubChem CID 6603283) has the molecular formula C19H28ClNO5 and a molecular weight of 385.89 g/mol. Its IUPAC name is ethyl 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride
PubChem CID6603283
Molecular FormulaC19H28ClNO5
Molecular Weight385.89 g/mol
Exact Mass385.17
IUPAC Nameethyl 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(CC(O)COc2ccc(C(C)=O)cc2)CC1.Cl
InChIInChI=1S/C19H27NO5.ClH/c1-3-24-19(23)16-8-10-20(11-9-16)12-17(22)13-25-18-6-4-15(5-7-18)14(2)21;/h4-7,16-17,22H,3,8-13H2,1-2H3;1H
InChIKeyXJQZSUXZDDNIFB-UHFFFAOYSA-N
XLogP2.33
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride (CID 6603283) is ethyl 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride is CCOC(=O)C1CCN(CC(O)COc2ccc(C(C)=O)cc2)CC1.Cl.
What is the InChIKey of ethyl 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride?
The InChIKey is XJQZSUXZDDNIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5.ClH/c1-3-24-19(23)16-8-10-20(11-9-16)12-17(22)13-25-18-6-4-15(5-7-18)14(2)21;/h4-7,16-17,22H,3,8-13H2,1-2H3;1H.
What are the key properties of ethyl 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride?
ethyl 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 6603283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).