ethyl 1-[2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl]piperidine-4-carboxylate

C14H25FN2O2 — CID 58778835

IUPACethyl 1-[2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC[C@@H]2C[C@H](F)CN2)CC1
InChIInChI=1S/C14H25FN2O2/c1-2-19-14(18)11-3-6-17(7-4-11)8-5-13-9-12(15)10-16-13/h11-13,16H,2-10H2,1H3/t12-,13+/m0/s1
InChIKeyPOCBUZLIGZOKAF-QWHCGFSZSA-N
MW272.36 g/mol
LogP1.35
Rot. Bonds5

About ethyl 1-[2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl]piperidine-4-carboxylate

ethyl 1-[2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl]piperidine-4-carboxylate (PubChem CID 58778835) has the molecular formula C14H25FN2O2 and a molecular weight of 272.36 g/mol. Its IUPAC name is ethyl 1-[2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl]piperidine-4-carboxylate
PubChem CID58778835
Molecular FormulaC14H25FN2O2
Molecular Weight272.36 g/mol
Exact Mass272.19
IUPAC Nameethyl 1-[2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC[C@@H]2C[C@H](F)CN2)CC1
InChIInChI=1S/C14H25FN2O2/c1-2-19-14(18)11-3-6-17(7-4-11)8-5-13-9-12(15)10-16-13/h11-13,16H,2-10H2,1H3/t12-,13+/m0/s1
InChIKeyPOCBUZLIGZOKAF-QWHCGFSZSA-N
XLogP1.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl]piperidine-4-carboxylate (CID 58778835) is ethyl 1-[2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC[C@@H]2C[C@H](F)CN2)CC1.
What is the InChIKey of ethyl 1-[2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl]piperidine-4-carboxylate?
The InChIKey is POCBUZLIGZOKAF-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H25FN2O2/c1-2-19-14(18)11-3-6-17(7-4-11)8-5-13-9-12(15)10-16-13/h11-13,16H,2-10H2,1H3/t12-,13+/m0/s1.
What are the key properties of ethyl 1-[2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl]piperidine-4-carboxylate?
ethyl 1-[2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl]piperidine-4-carboxylate has a molecular weight of 272.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 58778835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).