1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine

C15H25FN4 — CID 105389603

IUPAC1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(N2CCN(C(C)(C)C)CC2)c1F
InChIInChI=1S/C15H25FN4/c1-15(2,3)20-9-7-19(8-10-20)14-13(16)12(11-17-4)5-6-18-14/h5-6,17H,7-11H2,1-4H3
InChIKeyOXUNOQGUGNFOSW-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.86
Rot. Bonds3

About 1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine

1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine (PubChem CID 105389603) has the molecular formula C15H25FN4 and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
PubChem CID105389603
Molecular FormulaC15H25FN4
Molecular Weight280.39 g/mol
Exact Mass280.21
IUPAC Name1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(N2CCN(C(C)(C)C)CC2)c1F
InChIInChI=1S/C15H25FN4/c1-15(2,3)20-9-7-19(8-10-20)14-13(16)12(11-17-4)5-6-18-14/h5-6,17H,7-11H2,1-4H3
InChIKeyOXUNOQGUGNFOSW-UHFFFAOYSA-N
XLogP1.86
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine (CID 105389603) is 1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine is CNCc1ccnc(N2CCN(C(C)(C)C)CC2)c1F.
What is the InChIKey of 1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
The InChIKey is OXUNOQGUGNFOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4/c1-15(2,3)20-9-7-19(8-10-20)14-13(16)12(11-17-4)5-6-18-14/h5-6,17H,7-11H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine has a molecular weight of 280.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 105389603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).