ethyl 1-[1-(4-chlorophenyl)propan-2-yl]-4-(2-methoxyethyl)piperidine-4-carboxylate

C20H30ClNO3 — CID 45226263

IUPACethyl 1-[1-(4-chlorophenyl)propan-2-yl]-4-(2-methoxyethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOC)CCN(C(C)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H30ClNO3/c1-4-25-19(23)20(11-14-24-3)9-12-22(13-10-20)16(2)15-17-5-7-18(21)8-6-17/h5-8,16H,4,9-15H2,1-3H3
InChIKeySARXXAALOBKCDR-UHFFFAOYSA-N
MW367.92 g/mol
LogP3.95
Rot. Bonds8

About ethyl 1-[1-(4-chlorophenyl)propan-2-yl]-4-(2-methoxyethyl)piperidine-4-carboxylate

ethyl 1-[1-(4-chlorophenyl)propan-2-yl]-4-(2-methoxyethyl)piperidine-4-carboxylate (PubChem CID 45226263) has the molecular formula C20H30ClNO3 and a molecular weight of 367.92 g/mol. Its IUPAC name is ethyl 1-[1-(4-chlorophenyl)propan-2-yl]-4-(2-methoxyethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(4-chlorophenyl)propan-2-yl]-4-(2-methoxyethyl)piperidine-4-carboxylate
PubChem CID45226263
Molecular FormulaC20H30ClNO3
Molecular Weight367.92 g/mol
Exact Mass367.19
IUPAC Nameethyl 1-[1-(4-chlorophenyl)propan-2-yl]-4-(2-methoxyethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOC)CCN(C(C)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H30ClNO3/c1-4-25-19(23)20(11-14-24-3)9-12-22(13-10-20)16(2)15-17-5-7-18(21)8-6-17/h5-8,16H,4,9-15H2,1-3H3
InChIKeySARXXAALOBKCDR-UHFFFAOYSA-N
XLogP3.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Chloro-phenyl)-1-methyl-piperidine-4-carboxylic acid ethyl ester
CID 11267111
Ethyl 4-(4-chlorobenzyl)-1-cyclobutyl-4-piperidinecarboxylate
CID 23723386
Ethyl 4-(4-chlorobenzyl)-1-(1-cyclohexen-1-ylacetyl)-4-piperidinecarboxylate
CID 25381679
Ethyl 4-(4-chlorobenzyl)-1-cyclopentyl-4-piperidinecarboxylate
CID 25384964
Ethyl 1-(4-chlorobenzyl)-3-(2-methoxyethyl)-3-piperidinecarboxylate
CID 45245368
Ethyl 4-(4-(4-chloro-3-fluorophenyl)piperidin-1-yl)-n-butyrate
CID 17773062
Ethyl 4-(4-(4-chloro-2-fluorophenyl)piperidin-1-yl)-n-butyrate
CID 17773110
Ethyl 4-(4-(4-chloro-2-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-yl)-n-butyrate
CID 17773180
Ethyl 4-(4-(4-chloro-3-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-yl)-n-butyrate
CID 17773249
Ethyl 4-(2-methoxyethyl)-1-(2-phenylethyl)-4-piperidinecarboxylate
CID 42525830
Ethyl 4-(4-chlorobenzyl)-1-ethyl-4-piperidinecarboxylate
CID 25381295
ethyl 4-(2-chlorobenzyl)-1-(tetrahydro-2H-pyran-4-yl)-4-piperidinecarboxylate
CID 26323446

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(4-chlorophenyl)propan-2-yl]-4-(2-methoxyethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(4-chlorophenyl)propan-2-yl]-4-(2-methoxyethyl)piperidine-4-carboxylate (CID 45226263) is ethyl 1-[1-(4-chlorophenyl)propan-2-yl]-4-(2-methoxyethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(4-chlorophenyl)propan-2-yl]-4-(2-methoxyethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(4-chlorophenyl)propan-2-yl]-4-(2-methoxyethyl)piperidine-4-carboxylate is CCOC(=O)C1(CCOC)CCN(C(C)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 1-[1-(4-chlorophenyl)propan-2-yl]-4-(2-methoxyethyl)piperidine-4-carboxylate?
The InChIKey is SARXXAALOBKCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClNO3/c1-4-25-19(23)20(11-14-24-3)9-12-22(13-10-20)16(2)15-17-5-7-18(21)8-6-17/h5-8,16H,4,9-15H2,1-3H3.
What are the key properties of ethyl 1-[1-(4-chlorophenyl)propan-2-yl]-4-(2-methoxyethyl)piperidine-4-carboxylate?
ethyl 1-[1-(4-chlorophenyl)propan-2-yl]-4-(2-methoxyethyl)piperidine-4-carboxylate has a molecular weight of 367.92 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(4-chlorophenyl)propan-2-yl]-4-(2-methoxyethyl)piperidine-4-carboxylate is sourced from PubChem (CID 45226263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).