(4-tert-butylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone

C15H23FN4O — CID 105387865

IUPAC(4-tert-butylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
SMILESCC(C)(C)C1CCN(C(=O)c2ccnc(NN)c2F)CC1
InChIInChI=1S/C15H23FN4O/c1-15(2,3)10-5-8-20(9-6-10)14(21)11-4-7-18-13(19-17)12(11)16/h4,7,10H,5-6,8-9,17H2,1-3H3,(H,18,19)
InChIKeyWGJOLWOWHZABQK-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.40
Rot. Bonds2

About (4-tert-butylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone

(4-tert-butylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone (PubChem CID 105387865) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is (4-tert-butylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4-tert-butylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
PubChem CID105387865
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name(4-tert-butylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
SMILESCC(C)(C)C1CCN(C(=O)c2ccnc(NN)c2F)CC1
InChIInChI=1S/C15H23FN4O/c1-15(2,3)10-5-8-20(9-6-10)14(21)11-4-7-18-13(19-17)12(11)16/h4,7,10H,5-6,8-9,17H2,1-3H3,(H,18,19)
InChIKeyWGJOLWOWHZABQK-UHFFFAOYSA-N
XLogP2.40
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone?
The IUPAC name of (4-tert-butylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone (CID 105387865) is (4-tert-butylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone.
What is the SMILES notation for (4-tert-butylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone?
The canonical SMILES for (4-tert-butylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone is CC(C)(C)C1CCN(C(=O)c2ccnc(NN)c2F)CC1.
What is the InChIKey of (4-tert-butylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone?
The InChIKey is WGJOLWOWHZABQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-15(2,3)10-5-8-20(9-6-10)14(21)11-4-7-18-13(19-17)12(11)16/h4,7,10H,5-6,8-9,17H2,1-3H3,(H,18,19).
What are the key properties of (4-tert-butylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone?
(4-tert-butylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone has a molecular weight of 294.37 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone is sourced from PubChem (CID 105387865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).