(3R,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]pyrrolidin-3-ol

C10H20FN3O — CID 126847154

IUPAC(3R,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1N1CCN(CCF)CC1
InChIInChI=1S/C10H20FN3O/c11-1-2-13-3-5-14(6-4-13)9-7-12-8-10(9)15/h9-10,12,15H,1-8H2/t9-,10-/m1/s1
InChIKeyUNZRQYNIAOKYGL-NXEZZACHSA-N
MW217.29 g/mol
LogP-1.09
Rot. Bonds3

About (3R,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]pyrrolidin-3-ol

(3R,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]pyrrolidin-3-ol (PubChem CID 126847154) has the molecular formula C10H20FN3O and a molecular weight of 217.29 g/mol. Its IUPAC name is (3R,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]pyrrolidin-3-ol
PubChem CID126847154
Molecular FormulaC10H20FN3O
Molecular Weight217.29 g/mol
Exact Mass217.16
IUPAC Name(3R,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1N1CCN(CCF)CC1
InChIInChI=1S/C10H20FN3O/c11-1-2-13-3-5-14(6-4-13)9-7-12-8-10(9)15/h9-10,12,15H,1-8H2/t9-,10-/m1/s1
InChIKeyUNZRQYNIAOKYGL-NXEZZACHSA-N
XLogP-1.09
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]pyrrolidin-3-ol (CID 126847154) is (3R,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]pyrrolidin-3-ol is O[C@@H]1CNC[C@H]1N1CCN(CCF)CC1.
What is the InChIKey of (3R,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]pyrrolidin-3-ol?
The InChIKey is UNZRQYNIAOKYGL-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20FN3O/c11-1-2-13-3-5-14(6-4-13)9-7-12-8-10(9)15/h9-10,12,15H,1-8H2/t9-,10-/m1/s1.
What are the key properties of (3R,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]pyrrolidin-3-ol?
(3R,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]pyrrolidin-3-ol has a molecular weight of 217.29 g/mol, XLogP of -1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]pyrrolidin-3-ol is sourced from PubChem (CID 126847154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).