4-[[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol

C16H24FN3O — CID 120961983

IUPAC4-[[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1c(F)cccc1N1CCCC1
InChIInChI=1S/C16H24FN3O/c17-14-4-3-5-15(20-6-1-2-7-20)13(14)10-18-8-12-9-19-11-16(12)21/h3-5,12,16,18-19,21H,1-2,6-11H2
InChIKeyQVPSQKQLUFUHOE-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.10
Rot. Bonds5

About 4-[[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol

4-[[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol (PubChem CID 120961983) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-[[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol
PubChem CID120961983
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name4-[[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1c(F)cccc1N1CCCC1
InChIInChI=1S/C16H24FN3O/c17-14-4-3-5-15(20-6-1-2-7-20)13(14)10-18-8-12-9-19-11-16(12)21/h3-5,12,16,18-19,21H,1-2,6-11H2
InChIKeyQVPSQKQLUFUHOE-UHFFFAOYSA-N
XLogP1.10
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol (CID 120961983) is 4-[[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol is OC1CNCC1CNCc1c(F)cccc1N1CCCC1.
What is the InChIKey of 4-[[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is QVPSQKQLUFUHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c17-14-4-3-5-15(20-6-1-2-7-20)13(14)10-18-8-12-9-19-11-16(12)21/h3-5,12,16,18-19,21H,1-2,6-11H2.
What are the key properties of 4-[[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol?
4-[[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 293.39 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120961983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).