tert-butyl 2-(3-fluoromorpholin-4-yl)piperidine-1-carboxylate

C14H25FN2O3 — CID 170357702

IUPACtert-butyl 2-(3-fluoromorpholin-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1N1CCOCC1F
InChIInChI=1S/C14H25FN2O3/c1-14(2,3)20-13(18)17-7-5-4-6-12(17)16-8-9-19-10-11(16)15/h11-12H,4-10H2,1-3H3
InChIKeyLVRGUDOGSNLIED-UHFFFAOYSA-N
MW288.36 g/mol
LogP2.36
Rot. Bonds1

About tert-butyl 2-(3-fluoromorpholin-4-yl)piperidine-1-carboxylate

tert-butyl 2-(3-fluoromorpholin-4-yl)piperidine-1-carboxylate (PubChem CID 170357702) has the molecular formula C14H25FN2O3 and a molecular weight of 288.36 g/mol. Its IUPAC name is tert-butyl 2-(3-fluoromorpholin-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-fluoromorpholin-4-yl)piperidine-1-carboxylate
PubChem CID170357702
Molecular FormulaC14H25FN2O3
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Nametert-butyl 2-(3-fluoromorpholin-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1N1CCOCC1F
InChIInChI=1S/C14H25FN2O3/c1-14(2,3)20-13(18)17-7-5-4-6-12(17)16-8-9-19-10-11(16)15/h11-12H,4-10H2,1-3H3
InChIKeyLVRGUDOGSNLIED-UHFFFAOYSA-N
XLogP2.36
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-fluoromorpholin-4-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(3-fluoromorpholin-4-yl)piperidine-1-carboxylate (CID 170357702) is tert-butyl 2-(3-fluoromorpholin-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-fluoromorpholin-4-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3-fluoromorpholin-4-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1N1CCOCC1F.
What is the InChIKey of tert-butyl 2-(3-fluoromorpholin-4-yl)piperidine-1-carboxylate?
The InChIKey is LVRGUDOGSNLIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O3/c1-14(2,3)20-13(18)17-7-5-4-6-12(17)16-8-9-19-10-11(16)15/h11-12H,4-10H2,1-3H3.
What are the key properties of tert-butyl 2-(3-fluoromorpholin-4-yl)piperidine-1-carboxylate?
tert-butyl 2-(3-fluoromorpholin-4-yl)piperidine-1-carboxylate has a molecular weight of 288.36 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-fluoromorpholin-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 170357702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).