(3S)-3-fluoro-3-methyl-1-[2-[(3S)-oxolan-3-yl]ethyl]piperidine

C12H22FNO — CID 129349329

IUPAC(3S)-3-fluoro-3-methyl-1-[2-[(3S)-oxolan-3-yl]ethyl]piperidine
SMILESC[C@]1(F)CCCN(CC[C@H]2CCOC2)C1
InChIInChI=1S/C12H22FNO/c1-12(13)5-2-6-14(10-12)7-3-11-4-8-15-9-11/h11H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeyZOFZVOAPDCWYPB-RYUDHWBXSA-N
MW215.31 g/mol
LogP2.24
Rot. Bonds3

About (3S)-3-fluoro-3-methyl-1-[2-[(3S)-oxolan-3-yl]ethyl]piperidine

(3S)-3-fluoro-3-methyl-1-[2-[(3S)-oxolan-3-yl]ethyl]piperidine (PubChem CID 129349329) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is (3S)-3-fluoro-3-methyl-1-[2-[(3S)-oxolan-3-yl]ethyl]piperidine.

Molecular Properties

Compound Name(3S)-3-fluoro-3-methyl-1-[2-[(3S)-oxolan-3-yl]ethyl]piperidine
PubChem CID129349329
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name(3S)-3-fluoro-3-methyl-1-[2-[(3S)-oxolan-3-yl]ethyl]piperidine
SMILESC[C@]1(F)CCCN(CC[C@H]2CCOC2)C1
InChIInChI=1S/C12H22FNO/c1-12(13)5-2-6-14(10-12)7-3-11-4-8-15-9-11/h11H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeyZOFZVOAPDCWYPB-RYUDHWBXSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-3-methyl-1-[2-[(3S)-oxolan-3-yl]ethyl]piperidine?
The IUPAC name of (3S)-3-fluoro-3-methyl-1-[2-[(3S)-oxolan-3-yl]ethyl]piperidine (CID 129349329) is (3S)-3-fluoro-3-methyl-1-[2-[(3S)-oxolan-3-yl]ethyl]piperidine.
What is the SMILES notation for (3S)-3-fluoro-3-methyl-1-[2-[(3S)-oxolan-3-yl]ethyl]piperidine?
The canonical SMILES for (3S)-3-fluoro-3-methyl-1-[2-[(3S)-oxolan-3-yl]ethyl]piperidine is C[C@]1(F)CCCN(CC[C@H]2CCOC2)C1.
What is the InChIKey of (3S)-3-fluoro-3-methyl-1-[2-[(3S)-oxolan-3-yl]ethyl]piperidine?
The InChIKey is ZOFZVOAPDCWYPB-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H22FNO/c1-12(13)5-2-6-14(10-12)7-3-11-4-8-15-9-11/h11H,2-10H2,1H3/t11-,12-/m0/s1.
What are the key properties of (3S)-3-fluoro-3-methyl-1-[2-[(3S)-oxolan-3-yl]ethyl]piperidine?
(3S)-3-fluoro-3-methyl-1-[2-[(3S)-oxolan-3-yl]ethyl]piperidine has a molecular weight of 215.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-3-methyl-1-[2-[(3S)-oxolan-3-yl]ethyl]piperidine is sourced from PubChem (CID 129349329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).