N-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine

C15H26FN5 — CID 105387168

IUPACN-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(Nc2nccc(CNC(C)(C)C)c2F)CC1
InChIInChI=1S/C15H26FN5/c1-15(2,3)18-11-12-5-6-17-14(13(12)16)19-21-9-7-20(4)8-10-21/h5-6,18H,7-11H2,1-4H3,(H,17,19)
InChIKeyAZQKHRDALHJSRY-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.68
Rot. Bonds4

About N-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine

N-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine (PubChem CID 105387168) has the molecular formula C15H26FN5 and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine
PubChem CID105387168
Molecular FormulaC15H26FN5
Molecular Weight295.41 g/mol
Exact Mass295.22
IUPAC NameN-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(Nc2nccc(CNC(C)(C)C)c2F)CC1
InChIInChI=1S/C15H26FN5/c1-15(2,3)18-11-12-5-6-17-14(13(12)16)19-21-9-7-20(4)8-10-21/h5-6,18H,7-11H2,1-4H3,(H,17,19)
InChIKeyAZQKHRDALHJSRY-UHFFFAOYSA-N
XLogP1.68
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine (CID 105387168) is N-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine is CN1CCN(Nc2nccc(CNC(C)(C)C)c2F)CC1.
What is the InChIKey of N-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine?
The InChIKey is AZQKHRDALHJSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN5/c1-15(2,3)18-11-12-5-6-17-14(13(12)16)19-21-9-7-20(4)8-10-21/h5-6,18H,7-11H2,1-4H3,(H,17,19).
What are the key properties of N-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine?
N-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine has a molecular weight of 295.41 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 105387168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).