[3-(4-fluorophenyl)furan-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone

C19H23FN2O3 — CID 146121813

IUPAC[3-(4-fluorophenyl)furan-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)(O)CN1CCN(C(=O)c2occc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN2O3/c1-19(2,24)13-21-8-10-22(11-9-21)18(23)17-16(7-12-25-17)14-3-5-15(20)6-4-14/h3-7,12,24H,8-11,13H2,1-2H3
InChIKeyPUPYLYYODGCLKS-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.61
Rot. Bonds4

About [3-(4-fluorophenyl)furan-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone

[3-(4-fluorophenyl)furan-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 146121813) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is [3-(4-fluorophenyl)furan-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)furan-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
PubChem CID146121813
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name[3-(4-fluorophenyl)furan-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)(O)CN1CCN(C(=O)c2occc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN2O3/c1-19(2,24)13-21-8-10-22(11-9-21)18(23)17-16(7-12-25-17)14-3-5-15(20)6-4-14/h3-7,12,24H,8-11,13H2,1-2H3
InChIKeyPUPYLYYODGCLKS-UHFFFAOYSA-N
XLogP2.61
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
CID 63239769
2-(4-fluorophenoxy)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
CID 110932543
3-(4-fluorophenyl)furan-2-carboxylic acid
CID 19874616
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 66336316
1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 56509402
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 51240546
(4-fluoro-3-sulfanylphenyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 107030625
(3-phenylfuran-2-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 24655305
1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-ol
CID 110932473
ethyl 3-(4-fluorophenyl)furan-2-carboxylate
CID 169200046
N,N-diethyl-4-(3-phenylfuran-2-carbonyl)piperazine-1-sulfonamide
CID 29285075
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone
CID 104627474

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)furan-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)furan-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone (CID 146121813) is [3-(4-fluorophenyl)furan-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)furan-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)furan-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone is CC(C)(O)CN1CCN(C(=O)c2occc2-c2ccc(F)cc2)CC1.
What is the InChIKey of [3-(4-fluorophenyl)furan-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is PUPYLYYODGCLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-19(2,24)13-21-8-10-22(11-9-21)18(23)17-16(7-12-25-17)14-3-5-15(20)6-4-14/h3-7,12,24H,8-11,13H2,1-2H3.
What are the key properties of [3-(4-fluorophenyl)furan-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone?
[3-(4-fluorophenyl)furan-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 346.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)furan-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 146121813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).