1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol

C14H21FN2O — CID 23641142

IUPAC1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol
SMILESCC(O)[C@H]1CNCCN1CCc1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-11(18)14-10-16-6-8-17(14)7-5-12-3-2-4-13(15)9-12/h2-4,9,11,14,16,18H,5-8,10H2,1H3/t11?,14-/m1/s1
InChIKeyHSSLJPDYCJFHEF-SBXXRYSUSA-N
MW252.33 g/mol
LogP1.02
Rot. Bonds4

About 1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol

1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol (PubChem CID 23641142) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol
PubChem CID23641142
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol
SMILESCC(O)[C@H]1CNCCN1CCc1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-11(18)14-10-16-6-8-17(14)7-5-12-3-2-4-13(15)9-12/h2-4,9,11,14,16,18H,5-8,10H2,1H3/t11?,14-/m1/s1
InChIKeyHSSLJPDYCJFHEF-SBXXRYSUSA-N
XLogP1.02
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol?
The IUPAC name of 1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol (CID 23641142) is 1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol?
The canonical SMILES for 1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol is CC(O)[C@H]1CNCCN1CCc1cccc(F)c1.
What is the InChIKey of 1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol?
The InChIKey is HSSLJPDYCJFHEF-SBXXRYSUSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-11(18)14-10-16-6-8-17(14)7-5-12-3-2-4-13(15)9-12/h2-4,9,11,14,16,18H,5-8,10H2,1H3/t11?,14-/m1/s1.
What are the key properties of 1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol?
1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol has a molecular weight of 252.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23641142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).