[3-fluoro-1-[[2-(4-propylpiperazin-1-yl)phenyl]methyl]pyrrolidin-3-yl]methanol

C19H30FN3O — CID 154756169

IUPAC[3-fluoro-1-[[2-(4-propylpiperazin-1-yl)phenyl]methyl]pyrrolidin-3-yl]methanol
SMILESCCCN1CCN(c2ccccc2CN2CCC(F)(CO)C2)CC1
InChIInChI=1S/C19H30FN3O/c1-2-8-21-10-12-23(13-11-21)18-6-4-3-5-17(18)14-22-9-7-19(20,15-22)16-24/h3-6,24H,2,7-16H2,1H3
InChIKeyRUFYCWGRBZZLIC-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.12
Rot. Bonds6

About [3-fluoro-1-[[2-(4-propylpiperazin-1-yl)phenyl]methyl]pyrrolidin-3-yl]methanol

[3-fluoro-1-[[2-(4-propylpiperazin-1-yl)phenyl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 154756169) has the molecular formula C19H30FN3O and a molecular weight of 335.47 g/mol. Its IUPAC name is [3-fluoro-1-[[2-(4-propylpiperazin-1-yl)phenyl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-fluoro-1-[[2-(4-propylpiperazin-1-yl)phenyl]methyl]pyrrolidin-3-yl]methanol
PubChem CID154756169
Molecular FormulaC19H30FN3O
Molecular Weight335.47 g/mol
Exact Mass335.24
IUPAC Name[3-fluoro-1-[[2-(4-propylpiperazin-1-yl)phenyl]methyl]pyrrolidin-3-yl]methanol
SMILESCCCN1CCN(c2ccccc2CN2CCC(F)(CO)C2)CC1
InChIInChI=1S/C19H30FN3O/c1-2-8-21-10-12-23(13-11-21)18-6-4-3-5-17(18)14-22-9-7-19(20,15-22)16-24/h3-6,24H,2,7-16H2,1H3
InChIKeyRUFYCWGRBZZLIC-UHFFFAOYSA-N
XLogP2.12
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-1-[[2-(4-propylpiperazin-1-yl)phenyl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [3-fluoro-1-[[2-(4-propylpiperazin-1-yl)phenyl]methyl]pyrrolidin-3-yl]methanol (CID 154756169) is [3-fluoro-1-[[2-(4-propylpiperazin-1-yl)phenyl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-fluoro-1-[[2-(4-propylpiperazin-1-yl)phenyl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-fluoro-1-[[2-(4-propylpiperazin-1-yl)phenyl]methyl]pyrrolidin-3-yl]methanol is CCCN1CCN(c2ccccc2CN2CCC(F)(CO)C2)CC1.
What is the InChIKey of [3-fluoro-1-[[2-(4-propylpiperazin-1-yl)phenyl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is RUFYCWGRBZZLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O/c1-2-8-21-10-12-23(13-11-21)18-6-4-3-5-17(18)14-22-9-7-19(20,15-22)16-24/h3-6,24H,2,7-16H2,1H3.
What are the key properties of [3-fluoro-1-[[2-(4-propylpiperazin-1-yl)phenyl]methyl]pyrrolidin-3-yl]methanol?
[3-fluoro-1-[[2-(4-propylpiperazin-1-yl)phenyl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 335.47 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-1-[[2-(4-propylpiperazin-1-yl)phenyl]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 154756169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).