[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride

C16H24Cl2FN3O2 — CID 119888948

IUPAC[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
SMILESCOc1cc(F)ccc1N1CCN(C(=O)C2CCNC2)CC1.Cl.Cl
InChIInChI=1S/C16H22FN3O2.2ClH/c1-22-15-10-13(17)2-3-14(15)19-6-8-20(9-7-19)16(21)12-4-5-18-11-12;;/h2-3,10,12,18H,4-9,11H2,1H3;2*1H
InChIKeyQJTIKWVMHPUUJM-UHFFFAOYSA-N
MW380.29 g/mol
LogP1.94
Rot. Bonds3

About [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride

[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride (PubChem CID 119888948) has the molecular formula C16H24Cl2FN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
PubChem CID119888948
Molecular FormulaC16H24Cl2FN3O2
Molecular Weight380.29 g/mol
Exact Mass379.12
IUPAC Name[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
SMILESCOc1cc(F)ccc1N1CCN(C(=O)C2CCNC2)CC1.Cl.Cl
InChIInChI=1S/C16H22FN3O2.2ClH/c1-22-15-10-13(17)2-3-14(15)19-6-8-20(9-7-19)16(21)12-4-5-18-11-12;;/h2-3,10,12,18H,4-9,11H2,1H3;2*1H
InChIKeyQJTIKWVMHPUUJM-UHFFFAOYSA-N
XLogP1.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119888881
[4-(2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119826511
[(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone
CID 124686187
(3-aminocyclohexyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119888902
(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]-[(3R)-morpholin-3-yl]methanone
CID 124686188
[4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 166110470
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone
CID 129401856
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119888933
(2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119888914
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119771195
2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 122157838

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride?
The IUPAC name of [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride (CID 119888948) is [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride?
The canonical SMILES for [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride is COc1cc(F)ccc1N1CCN(C(=O)C2CCNC2)CC1.Cl.Cl.
What is the InChIKey of [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride?
The InChIKey is QJTIKWVMHPUUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2.2ClH/c1-22-15-10-13(17)2-3-14(15)19-6-8-20(9-7-19)16(21)12-4-5-18-11-12;;/h2-3,10,12,18H,4-9,11H2,1H3;2*1H.
What are the key properties of [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride?
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride has a molecular weight of 380.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 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]-pyrrolidin-3-ylmethanone;dihydrochloride is sourced from PubChem (CID 119888948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).