(1R)-1-[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine

C15H24FN3 — CID 55216383

IUPAC(1R)-1-[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCN(C)C(C)(C)C2)c(F)c1
InChIInChI=1S/C15H24FN3/c1-11(17)12-5-6-14(13(16)9-12)19-8-7-18(4)15(2,3)10-19/h5-6,9,11H,7-8,10,17H2,1-4H3/t11-/m1/s1
InChIKeyALNMUMDKBQOGHI-LLVKDONJSA-N
MW265.38 g/mol
LogP2.38
Rot. Bonds2

About (1R)-1-[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine

(1R)-1-[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine (PubChem CID 55216383) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine
PubChem CID55216383
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name(1R)-1-[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCN(C)C(C)(C)C2)c(F)c1
InChIInChI=1S/C15H24FN3/c1-11(17)12-5-6-14(13(16)9-12)19-8-7-18(4)15(2,3)10-19/h5-6,9,11H,7-8,10,17H2,1-4H3/t11-/m1/s1
InChIKeyALNMUMDKBQOGHI-LLVKDONJSA-N
XLogP2.38
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine (CID 55216383) is (1R)-1-[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine is C[C@@H](N)c1ccc(N2CCN(C)C(C)(C)C2)c(F)c1.
What is the InChIKey of (1R)-1-[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine?
The InChIKey is ALNMUMDKBQOGHI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24FN3/c1-11(17)12-5-6-14(13(16)9-12)19-8-7-18(4)15(2,3)10-19/h5-6,9,11H,7-8,10,17H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine?
(1R)-1-[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine has a molecular weight of 265.38 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 55216383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).