tert-butyl 4-[[1-(4-fluorophenyl)-2-methoxyethyl]amino]piperidine-1-carboxylate

C19H29FN2O3 — CID 57227215

IUPACtert-butyl 4-[[1-(4-fluorophenyl)-2-methoxyethyl]amino]piperidine-1-carboxylate
SMILESCOCC(NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H29FN2O3/c1-19(2,3)25-18(23)22-11-9-16(10-12-22)21-17(13-24-4)14-5-7-15(20)8-6-14/h5-8,16-17,21H,9-13H2,1-4H3
InChIKeyYSZPKOISPGORLU-UHFFFAOYSA-N
MW352.45 g/mol
LogP3.50
Rot. Bonds5

About tert-butyl 4-[[1-(4-fluorophenyl)-2-methoxyethyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[1-(4-fluorophenyl)-2-methoxyethyl]amino]piperidine-1-carboxylate (PubChem CID 57227215) has the molecular formula C19H29FN2O3 and a molecular weight of 352.45 g/mol. Its IUPAC name is tert-butyl 4-[[1-(4-fluorophenyl)-2-methoxyethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[1-(4-fluorophenyl)-2-methoxyethyl]amino]piperidine-1-carboxylate
PubChem CID57227215
Molecular FormulaC19H29FN2O3
Molecular Weight352.45 g/mol
Exact Mass352.22
IUPAC Nametert-butyl 4-[[1-(4-fluorophenyl)-2-methoxyethyl]amino]piperidine-1-carboxylate
SMILESCOCC(NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H29FN2O3/c1-19(2,3)25-18(23)22-11-9-16(10-12-22)21-17(13-24-4)14-5-7-15(20)8-6-14/h5-8,16-17,21H,9-13H2,1-4H3
InChIKeyYSZPKOISPGORLU-UHFFFAOYSA-N
XLogP3.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[1-(4-fluorophenyl)-2-methoxyethyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[1-(4-fluorophenyl)-2-methoxyethyl]amino]piperidine-1-carboxylate (CID 57227215) is tert-butyl 4-[[1-(4-fluorophenyl)-2-methoxyethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[1-(4-fluorophenyl)-2-methoxyethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[1-(4-fluorophenyl)-2-methoxyethyl]amino]piperidine-1-carboxylate is COCC(NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1.
What is the InChIKey of tert-butyl 4-[[1-(4-fluorophenyl)-2-methoxyethyl]amino]piperidine-1-carboxylate?
The InChIKey is YSZPKOISPGORLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O3/c1-19(2,3)25-18(23)22-11-9-16(10-12-22)21-17(13-24-4)14-5-7-15(20)8-6-14/h5-8,16-17,21H,9-13H2,1-4H3.
What are the key properties of tert-butyl 4-[[1-(4-fluorophenyl)-2-methoxyethyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[1-(4-fluorophenyl)-2-methoxyethyl]amino]piperidine-1-carboxylate has a molecular weight of 352.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[1-(4-fluorophenyl)-2-methoxyethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 57227215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).