1-(3-amino-5-fluoro-4-pyridinyl)-2-tert-butylpiperidine-4-carboxylic acid

C15H22FN3O2 — CID 134304064

IUPAC1-(3-amino-5-fluoro-4-pyridinyl)-2-tert-butylpiperidine-4-carboxylic acid
SMILESCC(C)(C)C1CC(C(=O)O)CCN1c1c(N)cncc1F
InChIInChI=1S/C15H22FN3O2/c1-15(2,3)12-6-9(14(20)21)4-5-19(12)13-10(16)7-18-8-11(13)17/h7-9,12H,4-6,17H2,1-3H3,(H,20,21)
InChIKeyDNXVWWVXYWGWRF-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.52
Rot. Bonds2

About 1-(3-amino-5-fluoro-4-pyridinyl)-2-tert-butylpiperidine-4-carboxylic acid

1-(3-amino-5-fluoro-4-pyridinyl)-2-tert-butylpiperidine-4-carboxylic acid (PubChem CID 134304064) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-(3-amino-5-fluoro-4-pyridinyl)-2-tert-butylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-5-fluoro-4-pyridinyl)-2-tert-butylpiperidine-4-carboxylic acid
PubChem CID134304064
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name1-(3-amino-5-fluoro-4-pyridinyl)-2-tert-butylpiperidine-4-carboxylic acid
SMILESCC(C)(C)C1CC(C(=O)O)CCN1c1c(N)cncc1F
InChIInChI=1S/C15H22FN3O2/c1-15(2,3)12-6-9(14(20)21)4-5-19(12)13-10(16)7-18-8-11(13)17/h7-9,12H,4-6,17H2,1-3H3,(H,20,21)
InChIKeyDNXVWWVXYWGWRF-UHFFFAOYSA-N
XLogP2.52
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-fluoro-4-pyridinyl)-2-tert-butylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-amino-5-fluoro-4-pyridinyl)-2-tert-butylpiperidine-4-carboxylic acid (CID 134304064) is 1-(3-amino-5-fluoro-4-pyridinyl)-2-tert-butylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-amino-5-fluoro-4-pyridinyl)-2-tert-butylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-amino-5-fluoro-4-pyridinyl)-2-tert-butylpiperidine-4-carboxylic acid is CC(C)(C)C1CC(C(=O)O)CCN1c1c(N)cncc1F.
What is the InChIKey of 1-(3-amino-5-fluoro-4-pyridinyl)-2-tert-butylpiperidine-4-carboxylic acid?
The InChIKey is DNXVWWVXYWGWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-15(2,3)12-6-9(14(20)21)4-5-19(12)13-10(16)7-18-8-11(13)17/h7-9,12H,4-6,17H2,1-3H3,(H,20,21).
What are the key properties of 1-(3-amino-5-fluoro-4-pyridinyl)-2-tert-butylpiperidine-4-carboxylic acid?
1-(3-amino-5-fluoro-4-pyridinyl)-2-tert-butylpiperidine-4-carboxylic acid has a molecular weight of 295.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-fluoro-4-pyridinyl)-2-tert-butylpiperidine-4-carboxylic acid is sourced from PubChem (CID 134304064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).