2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol

C14H22FN3O2 — CID 52975595

IUPAC2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol
SMILESOCCOCCNCC1CNNC1c1ccc(F)cc1
InChIInChI=1S/C14H22FN3O2/c15-13-3-1-11(2-4-13)14-12(10-17-18-14)9-16-5-7-20-8-6-19/h1-4,12,14,16-19H,5-10H2
InChIKeySPKAIMKEFCBPLH-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.19
Rot. Bonds8

About 2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol

2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol (PubChem CID 52975595) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol
PubChem CID52975595
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Name2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol
SMILESOCCOCCNCC1CNNC1c1ccc(F)cc1
InChIInChI=1S/C14H22FN3O2/c15-13-3-1-11(2-4-13)14-12(10-17-18-14)9-16-5-7-20-8-6-19/h1-4,12,14,16-19H,5-10H2
InChIKeySPKAIMKEFCBPLH-UHFFFAOYSA-N
XLogP0.19
TPSA65.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol (CID 52975595) is 2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol is OCCOCCNCC1CNNC1c1ccc(F)cc1.
What is the InChIKey of 2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol?
The InChIKey is SPKAIMKEFCBPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c15-13-3-1-11(2-4-13)14-12(10-17-18-14)9-16-5-7-20-8-6-19/h1-4,12,14,16-19H,5-10H2.
What are the key properties of 2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol?
2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol has a molecular weight of 283.35 g/mol, XLogP of 0.19, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol is sourced from PubChem (CID 52975595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).