[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(3R)-3-fluoropyrrolidin-3-yl]methanone

C12H22FN3O — CID 125146920

IUPAC[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(3R)-3-fluoropyrrolidin-3-yl]methanone
SMILESC[C@@H]1CCCN(C(=O)[C@@]2(F)CCNC2)[C@@H]1CN
InChIInChI=1S/C12H22FN3O/c1-9-3-2-6-16(10(9)7-14)11(17)12(13)4-5-15-8-12/h9-10,15H,2-8,14H2,1H3/t9-,10-,12-/m1/s1
InChIKeyRFIOUKDGPQTLCG-CKYFFXLPSA-N
MW243.33 g/mol
LogP0.27
Rot. Bonds2

About [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(3R)-3-fluoropyrrolidin-3-yl]methanone

[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(3R)-3-fluoropyrrolidin-3-yl]methanone (PubChem CID 125146920) has the molecular formula C12H22FN3O and a molecular weight of 243.33 g/mol. Its IUPAC name is [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(3R)-3-fluoropyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(3R)-3-fluoropyrrolidin-3-yl]methanone
PubChem CID125146920
Molecular FormulaC12H22FN3O
Molecular Weight243.33 g/mol
Exact Mass243.17
IUPAC Name[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(3R)-3-fluoropyrrolidin-3-yl]methanone
SMILESC[C@@H]1CCCN(C(=O)[C@@]2(F)CCNC2)[C@@H]1CN
InChIInChI=1S/C12H22FN3O/c1-9-3-2-6-16(10(9)7-14)11(17)12(13)4-5-15-8-12/h9-10,15H,2-8,14H2,1H3/t9-,10-,12-/m1/s1
InChIKeyRFIOUKDGPQTLCG-CKYFFXLPSA-N
XLogP0.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(3R)-3-fluoropyrrolidin-3-yl]methanone with MolForge

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Related Compounds

[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylthiolan-2-yl)methanone
CID 81452756
[2-(aminomethyl)-3-methylpiperidin-1-yl]-piperidin-4-ylmethanone
CID 119260965
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2,2,3,3,3-pentafluoropropan-1-one
CID 114038039
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-cyclopentylethanone
CID 95357695
(3-fluoropyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 130747822
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 124696237
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-cyclopentylmethanone
CID 95320415
3-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 107068770
3-[3-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 124592568
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 124592788
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 119597339
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(thian-4-yl)methanone
CID 125147034

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(3R)-3-fluoropyrrolidin-3-yl]methanone?
The IUPAC name of [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(3R)-3-fluoropyrrolidin-3-yl]methanone (CID 125146920) is [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(3R)-3-fluoropyrrolidin-3-yl]methanone.
What is the SMILES notation for [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(3R)-3-fluoropyrrolidin-3-yl]methanone?
The canonical SMILES for [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(3R)-3-fluoropyrrolidin-3-yl]methanone is C[C@@H]1CCCN(C(=O)[C@@]2(F)CCNC2)[C@@H]1CN.
What is the InChIKey of [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(3R)-3-fluoropyrrolidin-3-yl]methanone?
The InChIKey is RFIOUKDGPQTLCG-CKYFFXLPSA-N. The full InChI is InChI=1S/C12H22FN3O/c1-9-3-2-6-16(10(9)7-14)11(17)12(13)4-5-15-8-12/h9-10,15H,2-8,14H2,1H3/t9-,10-,12-/m1/s1.
What are the key properties of [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(3R)-3-fluoropyrrolidin-3-yl]methanone?
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(3R)-3-fluoropyrrolidin-3-yl]methanone has a molecular weight of 243.33 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(3R)-3-fluoropyrrolidin-3-yl]methanone is sourced from PubChem (CID 125146920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).