ethyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate

C12H16FN3O2 — CID 113286004

IUPACethyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C12H16FN3O2/c1-2-18-11(17)9-3-5-16(6-4-9)12-14-7-10(13)8-15-12/h7-9H,2-6H2,1H3
InChIKeyJCNORGIEEDRVHM-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.40
Rot. Bonds3

About ethyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate

ethyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate (PubChem CID 113286004) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is ethyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
PubChem CID113286004
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Nameethyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C12H16FN3O2/c1-2-18-11(17)9-3-5-16(6-4-9)12-14-7-10(13)8-15-12/h7-9H,2-6H2,1H3
InChIKeyJCNORGIEEDRVHM-UHFFFAOYSA-N
XLogP1.40
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate (CID 113286004) is ethyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of ethyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate?
The InChIKey is JCNORGIEEDRVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-2-18-11(17)9-3-5-16(6-4-9)12-14-7-10(13)8-15-12/h7-9H,2-6H2,1H3.
What are the key properties of ethyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate?
ethyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate has a molecular weight of 253.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 113286004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).