[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone

C15H22FN3O2 — CID 107674352

IUPAC[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
SMILESCC(CN)CN1CCN(C(=O)c2ccc(O)cc2F)CC1
InChIInChI=1S/C15H22FN3O2/c1-11(9-17)10-18-4-6-19(7-5-18)15(21)13-3-2-12(20)8-14(13)16/h2-3,8,11,20H,4-7,9-10,17H2,1H3
InChIKeyISHRGGLJEPOERL-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.88
Rot. Bonds4

About [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone

[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone (PubChem CID 107674352) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
PubChem CID107674352
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
SMILESCC(CN)CN1CCN(C(=O)c2ccc(O)cc2F)CC1
InChIInChI=1S/C15H22FN3O2/c1-11(9-17)10-18-4-6-19(7-5-18)15(21)13-3-2-12(20)8-14(13)16/h2-3,8,11,20H,4-7,9-10,17H2,1H3
InChIKeyISHRGGLJEPOERL-UHFFFAOYSA-N
XLogP0.88
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674394
[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674348
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 43251946
[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(4-hydroxyphenyl)methanone
CID 43252011
(4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 103863563
(2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 107074618
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 104668901
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 43251972
[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2-methylfuran-3-yl)methanone
CID 43252022
[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 86788723
(2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95345550
[4-(3-aminopropoxy)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677184

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone?
The IUPAC name of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone (CID 107674352) is [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone?
The canonical SMILES for [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone is CC(CN)CN1CCN(C(=O)c2ccc(O)cc2F)CC1.
What is the InChIKey of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone?
The InChIKey is ISHRGGLJEPOERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-11(9-17)10-18-4-6-19(7-5-18)15(21)13-3-2-12(20)8-14(13)16/h2-3,8,11,20H,4-7,9-10,17H2,1H3.
What are the key properties of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone?
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone has a molecular weight of 295.36 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone is sourced from PubChem (CID 107674352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).