ethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate

C16H22ClNO2 — CID 60561773

IUPACethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClNO2/c1-3-20-16(19)14-8-10-18(11-9-14)12(2)13-4-6-15(17)7-5-13/h4-7,12,14H,3,8-11H2,1-2H3
InChIKeyJIGHAAOPOGEQIE-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.68
Rot. Bonds4

About ethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate

ethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate (PubChem CID 60561773) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is ethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate
PubChem CID60561773
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Nameethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClNO2/c1-3-20-16(19)14-8-10-18(11-9-14)12(2)13-4-6-15(17)7-5-13/h4-7,12,14H,3,8-11H2,1-2H3
InChIKeyJIGHAAOPOGEQIE-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677629
1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate
CID 127548047
ethyl 1-(1-aminoethyl)piperidine-4-carboxylate
CID 142132349
1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
CID 43130879
ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate
CID 162420045
ethyl 1-[[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 87056251
ethyl 1-butan-2-ylpiperidine-4-carboxylate
CID 62027270
ethyl 1-[(4-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxylate
CID 4114098
ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 35763528
ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
CID 27186861
ethyl 1-[3-(4-chlorophenyl)sulfanylpropyl]piperidine-4-carboxylate;hydrochloride
CID 6461141
ethyl 1-(1-chloro-2-phenylethyl)piperidine-4-carboxylate
CID 176726308

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate (CID 60561773) is ethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(C)c2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate?
The InChIKey is JIGHAAOPOGEQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-3-20-16(19)14-8-10-18(11-9-14)12(2)13-4-6-15(17)7-5-13/h4-7,12,14H,3,8-11H2,1-2H3.
What are the key properties of ethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate?
ethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate has a molecular weight of 295.81 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 60561773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).