1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate

C15H18ClNO4 — CID 127548047

IUPAC1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClNO4/c1-2-20-14(18)11-7-9-17(10-8-11)15(19)21-13-5-3-12(16)4-6-13/h3-6,11H,2,7-10H2,1H3
InChIKeyNEZMMNMORNDPIE-UHFFFAOYSA-N
MW311.76 g/mol
LogP3.11
Rot. Bonds3

About 1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate

1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate (PubChem CID 127548047) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate
PubChem CID127548047
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClNO4/c1-2-20-14(18)11-7-9-17(10-8-11)15(19)21-13-5-3-12(16)4-6-13/h3-6,11H,2,7-10H2,1H3
InChIKeyNEZMMNMORNDPIE-UHFFFAOYSA-N
XLogP3.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
CID 3851418
4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate
CID 70076614
ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
CID 27186861
ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 35763528
ethyl 1-[N-(4-chlorophenyl)-C-methylsulfanylcarbonimidoyl]piperidine-4-carboxylate
CID 59347508
ethyl 1-[2-[(4-chlorophenyl)methylamino]-2-oxoacetyl]piperidine-4-carboxylate
CID 44995824
ethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate
CID 60561773
ethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
CID 46056192
ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate
CID 78849118
ethyl 1-[2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate
CID 55319408
(4-ethoxyphenyl) 4-aminopiperidine-1-carboxylate
CID 116819285
bis(4-dodecoxyphenyl) piperidine-1,4-dicarboxylate
CID 14473790

Frequently Asked Questions

What is the IUPAC name of 1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate (CID 127548047) is 1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate is CCOC(=O)C1CCN(C(=O)Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate?
The InChIKey is NEZMMNMORNDPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-2-20-14(18)11-7-9-17(10-8-11)15(19)21-13-5-3-12(16)4-6-13/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate?
1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate has a molecular weight of 311.76 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate is sourced from PubChem (CID 127548047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).