2-methylpropyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate

C15H22FN3O2 — CID 123733627

IUPAC2-methylpropyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate
SMILESCC(C)COC(=O)C1CCN(c2c(N)cncc2F)CC1
InChIInChI=1S/C15H22FN3O2/c1-10(2)9-21-15(20)11-3-5-19(6-4-11)14-12(16)7-18-8-13(14)17/h7-8,10-11H,3-6,9,17H2,1-2H3
InChIKeyGEQUAFYQOMYHHL-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.22
Rot. Bonds4

About 2-methylpropyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate

2-methylpropyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate (PubChem CID 123733627) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-methylpropyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate
PubChem CID123733627
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name2-methylpropyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate
SMILESCC(C)COC(=O)C1CCN(c2c(N)cncc2F)CC1
InChIInChI=1S/C15H22FN3O2/c1-10(2)9-21-15(20)11-3-5-19(6-4-11)14-12(16)7-18-8-13(14)17/h7-8,10-11H,3-6,9,17H2,1-2H3
InChIKeyGEQUAFYQOMYHHL-UHFFFAOYSA-N
XLogP2.22
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate?
The IUPAC name of 2-methylpropyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate (CID 123733627) is 2-methylpropyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate?
The canonical SMILES for 2-methylpropyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate is CC(C)COC(=O)C1CCN(c2c(N)cncc2F)CC1.
What is the InChIKey of 2-methylpropyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate?
The InChIKey is GEQUAFYQOMYHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-10(2)9-21-15(20)11-3-5-19(6-4-11)14-12(16)7-18-8-13(14)17/h7-8,10-11H,3-6,9,17H2,1-2H3.
What are the key properties of 2-methylpropyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate?
2-methylpropyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate has a molecular weight of 295.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate is sourced from PubChem (CID 123733627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).