(2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine

C12H24FNO — CID 175612157

IUPAC(2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine
SMILESCC(C)O[C@@H](C)[C@@H]1CC(C)(F)CCN1C
InChIInChI=1S/C12H24FNO/c1-9(2)15-10(3)11-8-12(4,13)6-7-14(11)5/h9-11H,6-8H2,1-5H3/t10-,11-,12?/m0/s1
InChIKeyCEWJREIFQDIMKV-NDQFZYFBSA-N
MW217.33 g/mol
LogP2.62
Rot. Bonds3

About (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine

(2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine (PubChem CID 175612157) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine.

Molecular Properties

Compound Name(2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine
PubChem CID175612157
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name(2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine
SMILESCC(C)O[C@@H](C)[C@@H]1CC(C)(F)CCN1C
InChIInChI=1S/C12H24FNO/c1-9(2)15-10(3)11-8-12(4,13)6-7-14(11)5/h9-11H,6-8H2,1-5H3/t10-,11-,12?/m0/s1
InChIKeyCEWJREIFQDIMKV-NDQFZYFBSA-N
XLogP2.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine?
The IUPAC name of (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine (CID 175612157) is (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine.
What is the SMILES notation for (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine?
The canonical SMILES for (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine is CC(C)O[C@@H](C)[C@@H]1CC(C)(F)CCN1C.
What is the InChIKey of (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine?
The InChIKey is CEWJREIFQDIMKV-NDQFZYFBSA-N. The full InChI is InChI=1S/C12H24FNO/c1-9(2)15-10(3)11-8-12(4,13)6-7-14(11)5/h9-11H,6-8H2,1-5H3/t10-,11-,12?/m0/s1.
What are the key properties of (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine?
(2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine has a molecular weight of 217.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine is sourced from PubChem (CID 175612157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).