ethyl 1-[(4-chlorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate

C18H26ClNO3 — CID 45245368

IUPACethyl 1-[(4-chlorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(CCOC)CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H26ClNO3/c1-3-23-17(21)18(10-12-22-2)9-4-11-20(14-18)13-15-5-7-16(19)8-6-15/h5-8H,3-4,9-14H2,1-2H3
InChIKeyDBAIZQCZINYLFF-UHFFFAOYSA-N
MW339.86 g/mol
LogP3.52
Rot. Bonds7

About ethyl 1-[(4-chlorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate

ethyl 1-[(4-chlorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate (PubChem CID 45245368) has the molecular formula C18H26ClNO3 and a molecular weight of 339.86 g/mol. Its IUPAC name is ethyl 1-[(4-chlorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-chlorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
PubChem CID45245368
Molecular FormulaC18H26ClNO3
Molecular Weight339.86 g/mol
Exact Mass339.16
IUPAC Nameethyl 1-[(4-chlorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(CCOC)CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H26ClNO3/c1-3-23-17(21)18(10-12-22-2)9-4-11-20(14-18)13-15-5-7-16(19)8-6-15/h5-8H,3-4,9-14H2,1-2H3
InChIKeyDBAIZQCZINYLFF-UHFFFAOYSA-N
XLogP3.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.86
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-chlorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(4-chlorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate (CID 45245368) is ethyl 1-[(4-chlorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(4-chlorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(4-chlorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate is CCOC(=O)C1(CCOC)CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of ethyl 1-[(4-chlorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate?
The InChIKey is DBAIZQCZINYLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO3/c1-3-23-17(21)18(10-12-22-2)9-4-11-20(14-18)13-15-5-7-16(19)8-6-15/h5-8H,3-4,9-14H2,1-2H3.
What are the key properties of ethyl 1-[(4-chlorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate?
ethyl 1-[(4-chlorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate has a molecular weight of 339.86 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-chlorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate is sourced from PubChem (CID 45245368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).