ethyl 4-(4-chloroanilino)piperidine-1-carboxylate

C14H19ClN2O2 — CID 2846949

IUPACethyl 4-(4-chloroanilino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O2/c1-2-19-14(18)17-9-7-13(8-10-17)16-12-5-3-11(15)4-6-12/h3-6,13,16H,2,7-10H2,1H3
InChIKeyMOVXNHXUSMSOGD-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.37
Rot. Bonds3

About ethyl 4-(4-chloroanilino)piperidine-1-carboxylate

ethyl 4-(4-chloroanilino)piperidine-1-carboxylate (PubChem CID 2846949) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is ethyl 4-(4-chloroanilino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-chloroanilino)piperidine-1-carboxylate
PubChem CID2846949
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Nameethyl 4-(4-chloroanilino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O2/c1-2-19-14(18)17-9-7-13(8-10-17)16-12-5-3-11(15)4-6-12/h3-6,13,16H,2,7-10H2,1H3
InChIKeyMOVXNHXUSMSOGD-UHFFFAOYSA-N
XLogP3.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate
CID 119050059
ethyl 4-[4-(butanoylamino)anilino]piperidine-1-carboxylate
CID 112984321
ethyl 4-(3-bromo-4-fluoroanilino)piperidine-1-carboxylate
CID 115909453
ethyl 4-[4-(cyanomethyl)anilino]piperidine-1-carboxylate
CID 43786390
ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
CID 26776895
ethyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 62482125
ethyl 4-(4-chloro-2-formamidoanilino)piperidine-1-carboxylate
CID 168651983
ethyl 4-(3-bromoanilino)piperidine-1-carboxylate
CID 43762800
ethyl 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 31542176
ethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-1-carboxylate
CID 51193856
ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate
CID 43774396
ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate
CID 43776811

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chloroanilino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-chloroanilino)piperidine-1-carboxylate (CID 2846949) is ethyl 4-(4-chloroanilino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-chloroanilino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-chloroanilino)piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 4-(4-chloroanilino)piperidine-1-carboxylate?
The InChIKey is MOVXNHXUSMSOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-19-14(18)17-9-7-13(8-10-17)16-12-5-3-11(15)4-6-12/h3-6,13,16H,2,7-10H2,1H3.
What are the key properties of ethyl 4-(4-chloroanilino)piperidine-1-carboxylate?
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate has a molecular weight of 282.77 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chloroanilino)piperidine-1-carboxylate is sourced from PubChem (CID 2846949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).