[1-[[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol

C17H25FN2O — CID 111753155

IUPAC[1-[[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCCN1Cc1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c18-15-5-1-4-14(10-15)11-19-8-2-6-16(19)12-20-9-3-7-17(20)13-21/h1,4-5,10,16-17,21H,2-3,6-9,11-13H2
InChIKeyZPYBESBKHBVXIZ-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.25
Rot. Bonds5

About [1-[[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol

[1-[[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 111753155) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is [1-[[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID111753155
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name[1-[[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCCN1Cc1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c18-15-5-1-4-14(10-15)11-19-8-2-6-16(19)12-20-9-3-7-17(20)13-21/h1,4-5,10,16-17,21H,2-3,6-9,11-13H2
InChIKeyZPYBESBKHBVXIZ-UHFFFAOYSA-N
XLogP2.25
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 111753155) is [1-[[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1CC1CCCN1Cc1cccc(F)c1.
What is the InChIKey of [1-[[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is ZPYBESBKHBVXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c18-15-5-1-4-14(10-15)11-19-8-2-6-16(19)12-20-9-3-7-17(20)13-21/h1,4-5,10,16-17,21H,2-3,6-9,11-13H2.
What are the key properties of [1-[[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
[1-[[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 292.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 111753155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).