[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone

C18H25FN2O3 — CID 129401856

IUPAC[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone
SMILESCOc1cc(F)ccc1N1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)CC1
InChIInChI=1S/C18H25FN2O3/c1-13-15(4-3-11-24-13)18(22)21-9-7-20(8-10-21)16-6-5-14(19)12-17(16)23-2/h5-6,12-13,15H,3-4,7-11H2,1-2H3/t13-,15-/m1/s1
InChIKeyNNESHRAJQXDQHG-UKRRQHHQSA-N
MW336.41 g/mol
LogP2.30
Rot. Bonds3

About [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone

[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone (PubChem CID 129401856) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone
PubChem CID129401856
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone
SMILESCOc1cc(F)ccc1N1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)CC1
InChIInChI=1S/C18H25FN2O3/c1-13-15(4-3-11-24-13)18(22)21-9-7-20(8-10-21)16-6-5-14(19)12-17(16)23-2/h5-6,12-13,15H,3-4,7-11H2,1-2H3/t13-,15-/m1/s1
InChIKeyNNESHRAJQXDQHG-UKRRQHHQSA-N
XLogP2.30
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone with MolForge

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Related Compounds

1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 136526006
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119888881
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119888900
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119888948
[(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone
CID 124686187
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(3R)-morpholin-3-yl]methanone
CID 124686188
(3-aminocyclohexyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119888902
2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 122157838
(1-aminocyclopentyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone
CID 119888907
(3-aminophenyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119888924
3-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119953957
[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2R,3S)-2-methyloxan-3-yl]methanone
CID 129400330

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone?
The IUPAC name of [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone (CID 129401856) is [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone.
What is the SMILES notation for [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone?
The canonical SMILES for [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone is COc1cc(F)ccc1N1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)CC1.
What is the InChIKey of [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone?
The InChIKey is NNESHRAJQXDQHG-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-13-15(4-3-11-24-13)18(22)21-9-7-20(8-10-21)16-6-5-14(19)12-17(16)23-2/h5-6,12-13,15H,3-4,7-11H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone?
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone has a molecular weight of 336.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone is sourced from PubChem (CID 129401856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).