2-amino-2-(aminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone

C9H19FN4O2 — CID 121265293

IUPAC2-amino-2-(aminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone
SMILESCO[C@H]1CCN(C(=O)C(N)NCN)C[C@H]1F
InChIInChI=1S/C9H19FN4O2/c1-16-7-2-3-14(4-6(7)10)9(15)8(12)13-5-11/h6-8,13H,2-5,11-12H2,1H3/t6-,7+,8?/m1/s1
InChIKeySDWUXWQYJHEIOD-KVARREAHSA-N
MW234.27 g/mol
LogP-1.64
Rot. Bonds4

About 2-amino-2-(aminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone

2-amino-2-(aminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone (PubChem CID 121265293) has the molecular formula C9H19FN4O2 and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-amino-2-(aminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-2-(aminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone
PubChem CID121265293
Molecular FormulaC9H19FN4O2
Molecular Weight234.27 g/mol
Exact Mass234.15
IUPAC Name2-amino-2-(aminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone
SMILESCO[C@H]1CCN(C(=O)C(N)NCN)C[C@H]1F
InChIInChI=1S/C9H19FN4O2/c1-16-7-2-3-14(4-6(7)10)9(15)8(12)13-5-11/h6-8,13H,2-5,11-12H2,1H3/t6-,7+,8?/m1/s1
InChIKeySDWUXWQYJHEIOD-KVARREAHSA-N
XLogP-1.64
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-amino-2-(aminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone with MolForge

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Related Compounds

N-[(2S)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 121247088
N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 121261864
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-imidazolidin-2-ylmethanone
CID 121265289
2-amino-2-(1-aminoethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone
CID 121265295
2-[bis(aminomethyl)amino]-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone
CID 121265315
(3,3-Difluoro-4-methoxypiperidin-1-yl)-imidazolidin-2-ylmethanone
CID 121265340
2-amino-2-(diaminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone
CID 121265358
2-amino-2-(aminomethylamino)-1-[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]ethanone
CID 121265363
(3-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
CID 121265403
(5-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
CID 121265404
(5-amino-4-ethylpiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 135291714
(4-Ethoxy-3,3-difluoropiperidin-1-yl)-imidazolidin-2-ylmethanone
CID 135291758

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(aminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone?
The IUPAC name of 2-amino-2-(aminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone (CID 121265293) is 2-amino-2-(aminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-2-(aminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-2-(aminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone is CO[C@H]1CCN(C(=O)C(N)NCN)C[C@H]1F.
What is the InChIKey of 2-amino-2-(aminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone?
The InChIKey is SDWUXWQYJHEIOD-KVARREAHSA-N. The full InChI is InChI=1S/C9H19FN4O2/c1-16-7-2-3-14(4-6(7)10)9(15)8(12)13-5-11/h6-8,13H,2-5,11-12H2,1H3/t6-,7+,8?/m1/s1.
What are the key properties of 2-amino-2-(aminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone?
2-amino-2-(aminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone has a molecular weight of 234.27 g/mol, XLogP of -1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(aminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone is sourced from PubChem (CID 121265293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).