ethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate

C14H18FN3O3 — CID 89064489

IUPACethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(F)cc2N=O)CC1
InChIInChI=1S/C14H18FN3O3/c1-2-21-14(19)18-7-5-11(6-8-18)16-12-4-3-10(15)9-13(12)17-20/h3-4,9,11,16H,2,5-8H2,1H3
InChIKeyRFTDDPYSAFUJBI-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.26
Rot. Bonds4

About ethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate

ethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate (PubChem CID 89064489) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is ethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate
PubChem CID89064489
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Nameethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(F)cc2N=O)CC1
InChIInChI=1S/C14H18FN3O3/c1-2-21-14(19)18-7-5-11(6-8-18)16-12-4-3-10(15)9-13(12)17-20/h3-4,9,11,16H,2,5-8H2,1H3
InChIKeyRFTDDPYSAFUJBI-UHFFFAOYSA-N
XLogP3.26
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate (CID 89064489) is ethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccc(F)cc2N=O)CC1.
What is the InChIKey of ethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate?
The InChIKey is RFTDDPYSAFUJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c1-2-21-14(19)18-7-5-11(6-8-18)16-12-4-3-10(15)9-13(12)17-20/h3-4,9,11,16H,2,5-8H2,1H3.
What are the key properties of ethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate?
ethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate has a molecular weight of 295.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate is sourced from PubChem (CID 89064489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).