tert-butyl 4-[3-[amino(fluoro)methoxy]-3-oxopropyl]piperidine-1-carboxylate

C14H25FN2O4 — CID 140713593

IUPACtert-butyl 4-[3-[amino(fluoro)methoxy]-3-oxopropyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCC(=O)OC(N)F)CC1
InChIInChI=1S/C14H25FN2O4/c1-14(2,3)21-13(19)17-8-6-10(7-9-17)4-5-11(18)20-12(15)16/h10,12H,4-9,16H2,1-3H3
InChIKeyQKZOFIMLLITQDY-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.17
Rot. Bonds4

About tert-butyl 4-[3-[amino(fluoro)methoxy]-3-oxopropyl]piperidine-1-carboxylate

tert-butyl 4-[3-[amino(fluoro)methoxy]-3-oxopropyl]piperidine-1-carboxylate (PubChem CID 140713593) has the molecular formula C14H25FN2O4 and a molecular weight of 304.36 g/mol. Its IUPAC name is tert-butyl 4-[3-[amino(fluoro)methoxy]-3-oxopropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[amino(fluoro)methoxy]-3-oxopropyl]piperidine-1-carboxylate
PubChem CID140713593
Molecular FormulaC14H25FN2O4
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Nametert-butyl 4-[3-[amino(fluoro)methoxy]-3-oxopropyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCC(=O)OC(N)F)CC1
InChIInChI=1S/C14H25FN2O4/c1-14(2,3)21-13(19)17-8-6-10(7-9-17)4-5-11(18)20-12(15)16/h10,12H,4-9,16H2,1-3H3
InChIKeyQKZOFIMLLITQDY-UHFFFAOYSA-N
XLogP2.17
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[amino(fluoro)methoxy]-3-oxopropyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[amino(fluoro)methoxy]-3-oxopropyl]piperidine-1-carboxylate (CID 140713593) is tert-butyl 4-[3-[amino(fluoro)methoxy]-3-oxopropyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[amino(fluoro)methoxy]-3-oxopropyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[amino(fluoro)methoxy]-3-oxopropyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCC(=O)OC(N)F)CC1.
What is the InChIKey of tert-butyl 4-[3-[amino(fluoro)methoxy]-3-oxopropyl]piperidine-1-carboxylate?
The InChIKey is QKZOFIMLLITQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O4/c1-14(2,3)21-13(19)17-8-6-10(7-9-17)4-5-11(18)20-12(15)16/h10,12H,4-9,16H2,1-3H3.
What are the key properties of tert-butyl 4-[3-[amino(fluoro)methoxy]-3-oxopropyl]piperidine-1-carboxylate?
tert-butyl 4-[3-[amino(fluoro)methoxy]-3-oxopropyl]piperidine-1-carboxylate has a molecular weight of 304.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[amino(fluoro)methoxy]-3-oxopropyl]piperidine-1-carboxylate is sourced from PubChem (CID 140713593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).