(3R,4S)-3-fluoro-1,4-dimethyl-5-[(3R)-pyrrolidin-3-yl]oxypiperidine

C11H21FN2O — CID 163829316

IUPAC(3R,4S)-3-fluoro-1,4-dimethyl-5-[(3R)-pyrrolidin-3-yl]oxypiperidine
SMILESC[C@H]1C(O[C@@H]2CCNC2)CN(C)C[C@@H]1F
InChIInChI=1S/C11H21FN2O/c1-8-10(12)6-14(2)7-11(8)15-9-3-4-13-5-9/h8-11,13H,3-7H2,1-2H3/t8-,9-,10+,11?/m1/s1
InChIKeyOCHPTJNWSXGTLO-NFLHVTIKSA-N
MW216.30 g/mol
LogP0.65
Rot. Bonds2

About (3R,4S)-3-fluoro-1,4-dimethyl-5-[(3R)-pyrrolidin-3-yl]oxypiperidine

(3R,4S)-3-fluoro-1,4-dimethyl-5-[(3R)-pyrrolidin-3-yl]oxypiperidine (PubChem CID 163829316) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-1,4-dimethyl-5-[(3R)-pyrrolidin-3-yl]oxypiperidine.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-1,4-dimethyl-5-[(3R)-pyrrolidin-3-yl]oxypiperidine
PubChem CID163829316
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name(3R,4S)-3-fluoro-1,4-dimethyl-5-[(3R)-pyrrolidin-3-yl]oxypiperidine
SMILESC[C@H]1C(O[C@@H]2CCNC2)CN(C)C[C@@H]1F
InChIInChI=1S/C11H21FN2O/c1-8-10(12)6-14(2)7-11(8)15-9-3-4-13-5-9/h8-11,13H,3-7H2,1-2H3/t8-,9-,10+,11?/m1/s1
InChIKeyOCHPTJNWSXGTLO-NFLHVTIKSA-N
XLogP0.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-1,4-dimethyl-5-[(3R)-pyrrolidin-3-yl]oxypiperidine?
The IUPAC name of (3R,4S)-3-fluoro-1,4-dimethyl-5-[(3R)-pyrrolidin-3-yl]oxypiperidine (CID 163829316) is (3R,4S)-3-fluoro-1,4-dimethyl-5-[(3R)-pyrrolidin-3-yl]oxypiperidine.
What is the SMILES notation for (3R,4S)-3-fluoro-1,4-dimethyl-5-[(3R)-pyrrolidin-3-yl]oxypiperidine?
The canonical SMILES for (3R,4S)-3-fluoro-1,4-dimethyl-5-[(3R)-pyrrolidin-3-yl]oxypiperidine is C[C@H]1C(O[C@@H]2CCNC2)CN(C)C[C@@H]1F.
What is the InChIKey of (3R,4S)-3-fluoro-1,4-dimethyl-5-[(3R)-pyrrolidin-3-yl]oxypiperidine?
The InChIKey is OCHPTJNWSXGTLO-NFLHVTIKSA-N. The full InChI is InChI=1S/C11H21FN2O/c1-8-10(12)6-14(2)7-11(8)15-9-3-4-13-5-9/h8-11,13H,3-7H2,1-2H3/t8-,9-,10+,11?/m1/s1.
What are the key properties of (3R,4S)-3-fluoro-1,4-dimethyl-5-[(3R)-pyrrolidin-3-yl]oxypiperidine?
(3R,4S)-3-fluoro-1,4-dimethyl-5-[(3R)-pyrrolidin-3-yl]oxypiperidine has a molecular weight of 216.30 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-1,4-dimethyl-5-[(3R)-pyrrolidin-3-yl]oxypiperidine is sourced from PubChem (CID 163829316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).