1-[2-fluoro-4-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyphenyl]piperazine

C14H19F2N3O — CID 151864546

IUPAC1-[2-fluoro-4-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyphenyl]piperazine
SMILESFc1cc(O[C@@H]2CNC[C@H]2F)ccc1N1CCNCC1
InChIInChI=1S/C14H19F2N3O/c15-11-7-10(20-14-9-18-8-12(14)16)1-2-13(11)19-5-3-17-4-6-19/h1-2,7,12,14,17-18H,3-6,8-9H2/t12-,14-/m1/s1
InChIKeySLKATEMBAWPREV-TZMCWYRMSA-N
MW283.32 g/mol
LogP0.92
Rot. Bonds3

About 1-[2-fluoro-4-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyphenyl]piperazine

1-[2-fluoro-4-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyphenyl]piperazine (PubChem CID 151864546) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-[2-fluoro-4-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyphenyl]piperazine.

Molecular Properties

Compound Name1-[2-fluoro-4-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyphenyl]piperazine
PubChem CID151864546
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name1-[2-fluoro-4-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyphenyl]piperazine
SMILESFc1cc(O[C@@H]2CNC[C@H]2F)ccc1N1CCNCC1
InChIInChI=1S/C14H19F2N3O/c15-11-7-10(20-14-9-18-8-12(14)16)1-2-13(11)19-5-3-17-4-6-19/h1-2,7,12,14,17-18H,3-6,8-9H2/t12-,14-/m1/s1
InChIKeySLKATEMBAWPREV-TZMCWYRMSA-N
XLogP0.92
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyphenyl]piperazine?
The IUPAC name of 1-[2-fluoro-4-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyphenyl]piperazine (CID 151864546) is 1-[2-fluoro-4-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyphenyl]piperazine.
What is the SMILES notation for 1-[2-fluoro-4-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyphenyl]piperazine?
The canonical SMILES for 1-[2-fluoro-4-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyphenyl]piperazine is Fc1cc(O[C@@H]2CNC[C@H]2F)ccc1N1CCNCC1.
What is the InChIKey of 1-[2-fluoro-4-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyphenyl]piperazine?
The InChIKey is SLKATEMBAWPREV-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H19F2N3O/c15-11-7-10(20-14-9-18-8-12(14)16)1-2-13(11)19-5-3-17-4-6-19/h1-2,7,12,14,17-18H,3-6,8-9H2/t12-,14-/m1/s1.
What are the key properties of 1-[2-fluoro-4-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyphenyl]piperazine?
1-[2-fluoro-4-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyphenyl]piperazine has a molecular weight of 283.32 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyphenyl]piperazine is sourced from PubChem (CID 151864546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).