1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol

C17H25FN2O2 — CID 110883592

IUPAC1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CN1CCOCC1)CN1CCCC1c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O2/c18-15-5-3-14(4-6-15)17-2-1-7-20(17)13-16(21)12-19-8-10-22-11-9-19/h3-6,16-17,21H,1-2,7-13H2
InChIKeyNTGAWWODTDDDOL-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.66
Rot. Bonds5

About 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol

1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 110883592) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
PubChem CID110883592
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CN1CCOCC1)CN1CCCC1c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O2/c18-15-5-3-14(4-6-15)17-2-1-7-20(17)13-16(21)12-19-8-10-22-11-9-19/h3-6,16-17,21H,1-2,7-13H2
InChIKeyNTGAWWODTDDDOL-UHFFFAOYSA-N
XLogP1.66
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 110882272
(2R)-1-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 51963960
(2R)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 51927197
1-[3-(4-methylphenyl)thiomorpholin-4-yl]-3-morpholin-4-ylpropan-2-ol
CID 111422289
(2S)-1-(2,6-dimethylphenoxy)-3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]propan-2-ol
CID 124725003
2-(4-fluorophenyl)-1-(2-methylpropyl)azepane
CID 90816221
1-(1,3-benzodioxol-5-ylmethoxy)-3-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-2-ol
CID 51338380
1-(4-fluoroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60896474
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 111824467
5-[(2R)-1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129334945

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol (CID 110883592) is 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol is OC(CN1CCOCC1)CN1CCCC1c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is NTGAWWODTDDDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c18-15-5-3-14(4-6-15)17-2-1-7-20(17)13-16(21)12-19-8-10-22-11-9-19/h3-6,16-17,21H,1-2,7-13H2.
What are the key properties of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol?
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 308.40 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 110883592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).