1-[1-(4-fluorophenyl)propyl]-2-pyrrolidin-2-ylpyrrolidine

C17H25FN2 — CID 62274052

IUPAC1-[1-(4-fluorophenyl)propyl]-2-pyrrolidin-2-ylpyrrolidine
SMILESCCC(c1ccc(F)cc1)N1CCCC1C1CCCN1
InChIInChI=1S/C17H25FN2/c1-2-16(13-7-9-14(18)10-8-13)20-12-4-6-17(20)15-5-3-11-19-15/h7-10,15-17,19H,2-6,11-12H2,1H3
InChIKeyQUKXKSGZDODPKN-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.49
Rot. Bonds4

About 1-[1-(4-fluorophenyl)propyl]-2-pyrrolidin-2-ylpyrrolidine

1-[1-(4-fluorophenyl)propyl]-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 62274052) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)propyl]-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)propyl]-2-pyrrolidin-2-ylpyrrolidine
PubChem CID62274052
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name1-[1-(4-fluorophenyl)propyl]-2-pyrrolidin-2-ylpyrrolidine
SMILESCCC(c1ccc(F)cc1)N1CCCC1C1CCCN1
InChIInChI=1S/C17H25FN2/c1-2-16(13-7-9-14(18)10-8-13)20-12-4-6-17(20)15-5-3-11-19-15/h7-10,15-17,19H,2-6,11-12H2,1H3
InChIKeyQUKXKSGZDODPKN-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)propyl]-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-[1-(4-fluorophenyl)propyl]-2-pyrrolidin-2-ylpyrrolidine (CID 62274052) is 1-[1-(4-fluorophenyl)propyl]-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)propyl]-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-[1-(4-fluorophenyl)propyl]-2-pyrrolidin-2-ylpyrrolidine is CCC(c1ccc(F)cc1)N1CCCC1C1CCCN1.
What is the InChIKey of 1-[1-(4-fluorophenyl)propyl]-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is QUKXKSGZDODPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-2-16(13-7-9-14(18)10-8-13)20-12-4-6-17(20)15-5-3-11-19-15/h7-10,15-17,19H,2-6,11-12H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)propyl]-2-pyrrolidin-2-ylpyrrolidine?
1-[1-(4-fluorophenyl)propyl]-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 276.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)propyl]-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 62274052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).