[4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone

C17H19FN2O3 — CID 110887602

IUPAC[4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(CC(O)c2ccccc2F)CC1
InChIInChI=1S/C17H19FN2O3/c18-14-5-2-1-4-13(14)15(21)12-19-7-9-20(10-8-19)17(22)16-6-3-11-23-16/h1-6,11,15,21H,7-10,12H2
InChIKeyMTRIFKNDXKQNSC-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.91
Rot. Bonds4

About [4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 110887602) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is [4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID110887602
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name[4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(CC(O)c2ccccc2F)CC1
InChIInChI=1S/C17H19FN2O3/c18-14-5-2-1-4-13(14)15(21)12-19-7-9-20(10-8-19)17(22)16-6-3-11-23-16/h1-6,11,15,21H,7-10,12H2
InChIKeyMTRIFKNDXKQNSC-UHFFFAOYSA-N
XLogP1.91
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 110897183
[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46445280
[4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 111750499
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone
CID 95344609
ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 110887601
[4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 51727600
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
CID 95319125
[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 95347650
[4-[(2S)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 25359245

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 110887602) is [4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(CC(O)c2ccccc2F)CC1.
What is the InChIKey of [4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is MTRIFKNDXKQNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c18-14-5-2-1-4-13(14)15(21)12-19-7-9-20(10-8-19)17(22)16-6-3-11-23-16/h1-6,11,15,21H,7-10,12H2.
What are the key properties of [4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 318.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 110887602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).