[4-(fluoromethyl)piperidin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone

C12H20FNO2 — CID 126793897

IUPAC[4-(fluoromethyl)piperidin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone
SMILESC[C@@H]1CCO[C@@H]1C(=O)N1CCC(CF)CC1
InChIInChI=1S/C12H20FNO2/c1-9-4-7-16-11(9)12(15)14-5-2-10(8-13)3-6-14/h9-11H,2-8H2,1H3/t9-,11+/m1/s1
InChIKeyCDTNBPNZFFGUEP-KOLCDFICSA-N
MW229.29 g/mol
LogP1.62
Rot. Bonds2

About [4-(fluoromethyl)piperidin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone

[4-(fluoromethyl)piperidin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone (PubChem CID 126793897) has the molecular formula C12H20FNO2 and a molecular weight of 229.29 g/mol. Its IUPAC name is [4-(fluoromethyl)piperidin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-(fluoromethyl)piperidin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone
PubChem CID126793897
Molecular FormulaC12H20FNO2
Molecular Weight229.29 g/mol
Exact Mass229.15
IUPAC Name[4-(fluoromethyl)piperidin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone
SMILESC[C@@H]1CCO[C@@H]1C(=O)N1CCC(CF)CC1
InChIInChI=1S/C12H20FNO2/c1-9-4-7-16-11(9)12(15)14-5-2-10(8-13)3-6-14/h9-11H,2-8H2,1H3/t9-,11+/m1/s1
InChIKeyCDTNBPNZFFGUEP-KOLCDFICSA-N
XLogP1.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)piperidin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone?
The IUPAC name of [4-(fluoromethyl)piperidin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone (CID 126793897) is [4-(fluoromethyl)piperidin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone.
What is the SMILES notation for [4-(fluoromethyl)piperidin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone?
The canonical SMILES for [4-(fluoromethyl)piperidin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone is C[C@@H]1CCO[C@@H]1C(=O)N1CCC(CF)CC1.
What is the InChIKey of [4-(fluoromethyl)piperidin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone?
The InChIKey is CDTNBPNZFFGUEP-KOLCDFICSA-N. The full InChI is InChI=1S/C12H20FNO2/c1-9-4-7-16-11(9)12(15)14-5-2-10(8-13)3-6-14/h9-11H,2-8H2,1H3/t9-,11+/m1/s1.
What are the key properties of [4-(fluoromethyl)piperidin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone?
[4-(fluoromethyl)piperidin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone has a molecular weight of 229.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)piperidin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone is sourced from PubChem (CID 126793897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).