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

C18H27Cl2NO4 — CID 2770373

IUPACethyl 1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(CC(O)COCc2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C18H26ClNO4.ClH/c1-2-24-18(22)15-7-9-20(10-8-15)11-17(21)13-23-12-14-3-5-16(19)6-4-14;/h3-6,15,17,21H,2,7-13H2,1H3;1H
InChIKeyYXFWPQVOEOYOPU-UHFFFAOYSA-N
MW392.32 g/mol
LogP2.91
Rot. Bonds8

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

ethyl 1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride (PubChem CID 2770373) has the molecular formula C18H27Cl2NO4 and a molecular weight of 392.32 g/mol. Its IUPAC name is ethyl 1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride
PubChem CID2770373
Molecular FormulaC18H27Cl2NO4
Molecular Weight392.32 g/mol
Exact Mass391.13
IUPAC Nameethyl 1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(CC(O)COCc2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C18H26ClNO4.ClH/c1-2-24-18(22)15-7-9-20(10-8-15)11-17(21)13-23-12-14-3-5-16(19)6-4-14;/h3-6,15,17,21H,2,7-13H2,1H3;1H
InChIKeyYXFWPQVOEOYOPU-UHFFFAOYSA-N
XLogP2.91
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(2-Chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 3454765
1-[1-(4-Chlorophenyl)ethoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 4799605
1-{2-[Bis(4-chlorophenyl)methoxy]ethyl}-3-piperidinecarboxylic acid hydrochloride
CID 14306372
Methyl 1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine-3-carboxylate;hydrochloride
CID 45265114
1-[Bis(4-chlorophenyl)methoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride
CID 12006232
1-[(4-Chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol;hydrochloride
CID 16195985
1-[3-[(4-Chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide;oxalic acid
CID 16247221
Ethyl 1-(2-hydroxy-3-phenylmethoxypropyl)piperidine-4-carboxylate;oxalic acid
CID 16249150
(3S)-1-{2-[bis(4-chlorophenyl)methoxy]ethyl}-3-piperidinecarboxylic acid hydrochloride
CID 70687157
1-((4-Chlorobenzyl)oxy)-3-(piperidin-1-yl)propan-2-ol hydrochloride
CID 2770337
1-[(4-Chlorophenyl)methoxy]-3-(2-methylpiperidin-1-yl)propan-2-ol
CID 4248095
1-[(4-Chlorophenyl)methoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 4801923

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride (CID 2770373) is ethyl 1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride is CCOC(=O)C1CCN(CC(O)COCc2ccc(Cl)cc2)CC1.Cl.
What is the InChIKey of ethyl 1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride?
The InChIKey is YXFWPQVOEOYOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO4.ClH/c1-2-24-18(22)15-7-9-20(10-8-15)11-17(21)13-23-12-14-3-5-16(19)6-4-14;/h3-6,15,17,21H,2,7-13H2,1H3;1H.
What are the key properties of ethyl 1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride?
ethyl 1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride has a molecular weight of 392.32 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 2770373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).