(5-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone

C11H21FN4O2 — CID 121265404

IUPAC(5-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
SMILESCO[C@H]1CCN(C(=O)C2CNC(N)CN2)C[C@H]1F
InChIInChI=1S/C11H21FN4O2/c1-18-9-2-3-16(6-7(9)12)11(17)8-4-15-10(13)5-14-8/h7-10,14-15H,2-6,13H2,1H3/t7-,8?,9+,10?/m1/s1
InChIKeyVQYXRYOXOYTFHB-RJQCTPFPSA-N
MW260.31 g/mol
LogP-1.58
Rot. Bonds2

About (5-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone

(5-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone (PubChem CID 121265404) has the molecular formula C11H21FN4O2 and a molecular weight of 260.31 g/mol. Its IUPAC name is (5-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
PubChem CID121265404
Molecular FormulaC11H21FN4O2
Molecular Weight260.31 g/mol
Exact Mass260.16
IUPAC Name(5-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
SMILESCO[C@H]1CCN(C(=O)C2CNC(N)CN2)C[C@H]1F
InChIInChI=1S/C11H21FN4O2/c1-18-9-2-3-16(6-7(9)12)11(17)8-4-15-10(13)5-14-8/h7-10,14-15H,2-6,13H2,1H3/t7-,8?,9+,10?/m1/s1
InChIKeyVQYXRYOXOYTFHB-RJQCTPFPSA-N
XLogP-1.58
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone?
The IUPAC name of (5-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone (CID 121265404) is (5-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone.
What is the SMILES notation for (5-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone?
The canonical SMILES for (5-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone is CO[C@H]1CCN(C(=O)C2CNC(N)CN2)C[C@H]1F.
What is the InChIKey of (5-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone?
The InChIKey is VQYXRYOXOYTFHB-RJQCTPFPSA-N. The full InChI is InChI=1S/C11H21FN4O2/c1-18-9-2-3-16(6-7(9)12)11(17)8-4-15-10(13)5-14-8/h7-10,14-15H,2-6,13H2,1H3/t7-,8?,9+,10?/m1/s1.
What are the key properties of (5-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone?
(5-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone has a molecular weight of 260.31 g/mol, XLogP of -1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone is sourced from PubChem (CID 121265404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).