(3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone

C12H22FN3O2 — CID 139353797

IUPAC(3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
SMILESCO[C@H]1CCN(C(=O)C2CCNCC2N)C[C@H]1F
InChIInChI=1S/C12H22FN3O2/c1-18-11-3-5-16(7-9(11)13)12(17)8-2-4-15-6-10(8)14/h8-11,15H,2-7,14H2,1H3/t8?,9-,10?,11+/m1/s1
InChIKeyANEKMIXOMRIKOJ-DJRKXVOMSA-N
MW259.32 g/mol
LogP-0.49
Rot. Bonds2

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

(3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone (PubChem CID 139353797) has the molecular formula C12H22FN3O2 and a molecular weight of 259.32 g/mol. Its IUPAC name is (3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
PubChem CID139353797
Molecular FormulaC12H22FN3O2
Molecular Weight259.32 g/mol
Exact Mass259.17
IUPAC Name(3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
SMILESCO[C@H]1CCN(C(=O)C2CCNCC2N)C[C@H]1F
InChIInChI=1S/C12H22FN3O2/c1-18-11-3-5-16(7-9(11)13)12(17)8-2-4-15-6-10(8)14/h8-11,15H,2-7,14H2,1H3/t8?,9-,10?,11+/m1/s1
InChIKeyANEKMIXOMRIKOJ-DJRKXVOMSA-N
XLogP-0.49
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone
CID 121265296
(5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one
CID 121265380
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-pyrazolidin-3-ylmethanone;molecular hydrogen;propane
CID 145052579
2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]ethanone
CID 134827899
(4S)-4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 121265392
(6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 140709129
[4-(4-hydroxyphenyl)piperidin-1-yl]-(3-methoxypiperidin-4-yl)methanone
CID 167932984
(2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one
CID 121265292
1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-pyrazolidin-3-ylethanone
CID 121265344
2-amino-2-(diaminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone
CID 121265358
(3R)-3-fluoro-4-methoxypiperidine
CID 175540889
(3,4-dimethoxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 103533146

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone?
The IUPAC name of (3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone (CID 139353797) is (3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone.
What is the SMILES notation for (3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone?
The canonical SMILES for (3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone is CO[C@H]1CCN(C(=O)C2CCNCC2N)C[C@H]1F.
What is the InChIKey of (3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone?
The InChIKey is ANEKMIXOMRIKOJ-DJRKXVOMSA-N. The full InChI is InChI=1S/C12H22FN3O2/c1-18-11-3-5-16(7-9(11)13)12(17)8-2-4-15-6-10(8)14/h8-11,15H,2-7,14H2,1H3/t8?,9-,10?,11+/m1/s1.
What are the key properties of (3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone?
(3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone has a molecular weight of 259.32 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone is sourced from PubChem (CID 139353797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).