(2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]piperidine

C13H26FNO — CID 175612557

IUPAC(2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
SMILESC[C@H](OC(C)(C)C)[C@@H]1CC(C)(F)CCN1C
InChIInChI=1S/C13H26FNO/c1-10(16-12(2,3)4)11-9-13(5,14)7-8-15(11)6/h10-11H,7-9H2,1-6H3/t10-,11-,13?/m0/s1
InChIKeyXCMIXURPCCRYPL-WAQLSPKVSA-N
MW231.35 g/mol
LogP3.01
Rot. Bonds2

About (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]piperidine

(2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]piperidine (PubChem CID 175612557) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]piperidine.

Molecular Properties

Compound Name(2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
PubChem CID175612557
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name(2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
SMILESC[C@H](OC(C)(C)C)[C@@H]1CC(C)(F)CCN1C
InChIInChI=1S/C13H26FNO/c1-10(16-12(2,3)4)11-9-13(5,14)7-8-15(11)6/h10-11H,7-9H2,1-6H3/t10-,11-,13?/m0/s1
InChIKeyXCMIXURPCCRYPL-WAQLSPKVSA-N
XLogP3.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 53.01
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-[(2-methylpropan-2-yl)oxy]ethyl]piperidine?
The IUPAC name of (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]piperidine (CID 175612557) is (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]piperidine.
What is the SMILES notation for (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]piperidine?
The canonical SMILES for (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]piperidine is C[C@H](OC(C)(C)C)[C@@H]1CC(C)(F)CCN1C.
What is the InChIKey of (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]piperidine?
The InChIKey is XCMIXURPCCRYPL-WAQLSPKVSA-N. The full InChI is InChI=1S/C13H26FNO/c1-10(16-12(2,3)4)11-9-13(5,14)7-8-15(11)6/h10-11H,7-9H2,1-6H3/t10-,11-,13?/m0/s1.
What are the key properties of (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]piperidine?
(2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]piperidine has a molecular weight of 231.35 g/mol, XLogP of 3.01, 2 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-[(2-methylpropan-2-yl)oxy]ethyl]piperidine is sourced from PubChem (CID 175612557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).