tert-butyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoropiperidine-1-carboxylate

C16H29FN2O3 — CID 118407423

IUPACtert-butyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoropiperidine-1-carboxylate
SMILESC[C@@H]1CN(C2CCN(C(=O)OC(C)(C)C)CC2F)C[C@H](C)O1
InChIInChI=1S/C16H29FN2O3/c1-11-8-19(9-12(2)21-11)14-6-7-18(10-13(14)17)15(20)22-16(3,4)5/h11-14H,6-10H2,1-5H3/t11-,12+,13?,14?
InChIKeyHWOLTVLXZUTWOR-VTXSZYRJSA-N
MW316.42 g/mol
LogP2.44
Rot. Bonds1

About tert-butyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoropiperidine-1-carboxylate

tert-butyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoropiperidine-1-carboxylate (PubChem CID 118407423) has the molecular formula C16H29FN2O3 and a molecular weight of 316.42 g/mol. Its IUPAC name is tert-butyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoropiperidine-1-carboxylate
PubChem CID118407423
Molecular FormulaC16H29FN2O3
Molecular Weight316.42 g/mol
Exact Mass316.22
IUPAC Nametert-butyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoropiperidine-1-carboxylate
SMILESC[C@@H]1CN(C2CCN(C(=O)OC(C)(C)C)CC2F)C[C@H](C)O1
InChIInChI=1S/C16H29FN2O3/c1-11-8-19(9-12(2)21-11)14-6-7-18(10-13(14)17)15(20)22-16(3,4)5/h11-14H,6-10H2,1-5H3/t11-,12+,13?,14?
InChIKeyHWOLTVLXZUTWOR-VTXSZYRJSA-N
XLogP2.44
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoropiperidine-1-carboxylate (CID 118407423) is tert-butyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoropiperidine-1-carboxylate is C[C@@H]1CN(C2CCN(C(=O)OC(C)(C)C)CC2F)C[C@H](C)O1.
What is the InChIKey of tert-butyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoropiperidine-1-carboxylate?
The InChIKey is HWOLTVLXZUTWOR-VTXSZYRJSA-N. The full InChI is InChI=1S/C16H29FN2O3/c1-11-8-19(9-12(2)21-11)14-6-7-18(10-13(14)17)15(20)22-16(3,4)5/h11-14H,6-10H2,1-5H3/t11-,12+,13?,14?.
What are the key properties of tert-butyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoropiperidine-1-carboxylate?
tert-butyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoropiperidine-1-carboxylate has a molecular weight of 316.42 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 118407423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).