(3R,4S)-3-fluoro-4-pyrrolidin-1-ylpiperidine;(3S,4R)-3-fluoro-4-pyrrolidin-1-ylpiperidine

C18H34F2N4 — CID 154809509

IUPAC(3R,4S)-3-fluoro-4-pyrrolidin-1-ylpiperidine;(3S,4R)-3-fluoro-4-pyrrolidin-1-ylpiperidine
SMILESF[C@@H]1CNCC[C@@H]1N1CCCC1.F[C@H]1CNCC[C@H]1N1CCCC1
InChIInChI=1S/2C9H17FN2/c2*10-8-7-11-4-3-9(8)12-5-1-2-6-12/h2*8-9,11H,1-7H2/t2*8-,9+/m10/s1
InChIKeyLPRJBNPAWSUYSN-QUOODJBBSA-N
MW344.49 g/mol
LogP1.56
Rot. Bonds2

About (3R,4S)-3-fluoro-4-pyrrolidin-1-ylpiperidine;(3S,4R)-3-fluoro-4-pyrrolidin-1-ylpiperidine

(3R,4S)-3-fluoro-4-pyrrolidin-1-ylpiperidine;(3S,4R)-3-fluoro-4-pyrrolidin-1-ylpiperidine (PubChem CID 154809509) has the molecular formula C18H34F2N4 and a molecular weight of 344.49 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-4-pyrrolidin-1-ylpiperidine;(3S,4R)-3-fluoro-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-4-pyrrolidin-1-ylpiperidine;(3S,4R)-3-fluoro-4-pyrrolidin-1-ylpiperidine
PubChem CID154809509
Molecular FormulaC18H34F2N4
Molecular Weight344.49 g/mol
Exact Mass344.28
IUPAC Name(3R,4S)-3-fluoro-4-pyrrolidin-1-ylpiperidine;(3S,4R)-3-fluoro-4-pyrrolidin-1-ylpiperidine
SMILESF[C@@H]1CNCC[C@@H]1N1CCCC1.F[C@H]1CNCC[C@H]1N1CCCC1
InChIInChI=1S/2C9H17FN2/c2*10-8-7-11-4-3-9(8)12-5-1-2-6-12/h2*8-9,11H,1-7H2/t2*8-,9+/m10/s1
InChIKeyLPRJBNPAWSUYSN-QUOODJBBSA-N
XLogP1.56
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-4-pyrrolidin-1-ylpiperidine;(3S,4R)-3-fluoro-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of (3R,4S)-3-fluoro-4-pyrrolidin-1-ylpiperidine;(3S,4R)-3-fluoro-4-pyrrolidin-1-ylpiperidine (CID 154809509) is (3R,4S)-3-fluoro-4-pyrrolidin-1-ylpiperidine;(3S,4R)-3-fluoro-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for (3R,4S)-3-fluoro-4-pyrrolidin-1-ylpiperidine;(3S,4R)-3-fluoro-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for (3R,4S)-3-fluoro-4-pyrrolidin-1-ylpiperidine;(3S,4R)-3-fluoro-4-pyrrolidin-1-ylpiperidine is F[C@@H]1CNCC[C@@H]1N1CCCC1.F[C@H]1CNCC[C@H]1N1CCCC1.
What is the InChIKey of (3R,4S)-3-fluoro-4-pyrrolidin-1-ylpiperidine;(3S,4R)-3-fluoro-4-pyrrolidin-1-ylpiperidine?
The InChIKey is LPRJBNPAWSUYSN-QUOODJBBSA-N. The full InChI is InChI=1S/2C9H17FN2/c2*10-8-7-11-4-3-9(8)12-5-1-2-6-12/h2*8-9,11H,1-7H2/t2*8-,9+/m10/s1.
What are the key properties of (3R,4S)-3-fluoro-4-pyrrolidin-1-ylpiperidine;(3S,4R)-3-fluoro-4-pyrrolidin-1-ylpiperidine?
(3R,4S)-3-fluoro-4-pyrrolidin-1-ylpiperidine;(3S,4R)-3-fluoro-4-pyrrolidin-1-ylpiperidine has a molecular weight of 344.49 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-4-pyrrolidin-1-ylpiperidine;(3S,4R)-3-fluoro-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 154809509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).