1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol

C17H25F2N3O2 — CID 111824467

IUPAC1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CN1CCOCC1)CN1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H25F2N3O2/c18-14-1-2-16(19)17(11-14)22-5-3-20(4-6-22)12-15(23)13-21-7-9-24-10-8-21/h1-2,11,15,23H,3-10,12-13H2
InChIKeyLTQQRQBEUREMHB-UHFFFAOYSA-N
MW341.40 g/mol
LogP0.78
Rot. Bonds5

About 1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol

1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 111824467) has the molecular formula C17H25F2N3O2 and a molecular weight of 341.40 g/mol. Its IUPAC name is 1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
PubChem CID111824467
Molecular FormulaC17H25F2N3O2
Molecular Weight341.40 g/mol
Exact Mass341.19
IUPAC Name1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CN1CCOCC1)CN1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H25F2N3O2/c18-14-1-2-16(19)17(11-14)22-5-3-20(4-6-22)12-15(23)13-21-7-9-24-10-8-21/h1-2,11,15,23H,3-10,12-13H2
InChIKeyLTQQRQBEUREMHB-UHFFFAOYSA-N
XLogP0.78
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,5-difluorophenyl)methylamino]-3-morpholin-4-ylpropan-2-ol
CID 63032651
2-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanol
CID 19837148
2-amino-1-(4-fluoro-2-morpholin-4-ylphenyl)ethanol
CID 117115347
3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine
CID 82482240
1-(4-fluoroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60896474
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 110883592
1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid
CID 117108583
1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 110885371
(2S)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476124
(2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476125
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 66742472

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol (CID 111824467) is 1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol is OC(CN1CCOCC1)CN1CCN(c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is LTQQRQBEUREMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O2/c18-14-1-2-16(19)17(11-14)22-5-3-20(4-6-22)12-15(23)13-21-7-9-24-10-8-21/h1-2,11,15,23H,3-10,12-13H2.
What are the key properties of 1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 341.40 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111824467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).