[3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone

C10H17FN2O — CID 129496447

IUPAC[3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CC(CF)C1
InChIInChI=1S/C10H17FN2O/c11-5-8-6-13(7-8)10(14)9-3-1-2-4-12-9/h8-9,12H,1-7H2/t9-/m1/s1
InChIKeyJWVADTOGHQFTSJ-SECBINFHSA-N
MW200.26 g/mol
LogP0.56
Rot. Bonds2

About [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone

[3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone (PubChem CID 129496447) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name[3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone
PubChem CID129496447
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name[3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CC(CF)C1
InChIInChI=1S/C10H17FN2O/c11-5-8-6-13(7-8)10(14)9-3-1-2-4-12-9/h8-9,12H,1-7H2/t9-/m1/s1
InChIKeyJWVADTOGHQFTSJ-SECBINFHSA-N
XLogP0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 129494191
(3-hydroxyazetidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 107217589
(3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 107217621
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl(piperidin-2-yl)methanone
CID 119326244
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129393876
[3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104912769
1-(azocane-2-carbonyl)azetidine-3-carboxylic acid
CID 114240179
[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129414458
(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone
CID 119335393
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
(4-aminopiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 154266528

Frequently Asked Questions

What is the IUPAC name of [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The IUPAC name of [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone (CID 129496447) is [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone.
What is the SMILES notation for [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The canonical SMILES for [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone is O=C([C@H]1CCCCN1)N1CC(CF)C1.
What is the InChIKey of [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The InChIKey is JWVADTOGHQFTSJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H17FN2O/c11-5-8-6-13(7-8)10(14)9-3-1-2-4-12-9/h8-9,12H,1-7H2/t9-/m1/s1.
What are the key properties of [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
[3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone has a molecular weight of 200.26 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 129496447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).