[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone

C16H24FN3O — CID 81479698

IUPAC[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
SMILESCCC(CN)N1CCN(C(=O)c2cccc(C)c2F)CC1
InChIInChI=1S/C16H24FN3O/c1-3-13(11-18)19-7-9-20(10-8-19)16(21)14-6-4-5-12(2)15(14)17/h4-6,13H,3,7-11,18H2,1-2H3
InChIKeySGBJALBZXOBFFA-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.63
Rot. Bonds4

About [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone

[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone (PubChem CID 81479698) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
PubChem CID81479698
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
SMILESCCC(CN)N1CCN(C(=O)c2cccc(C)c2F)CC1
InChIInChI=1S/C16H24FN3O/c1-3-13(11-18)19-7-9-20(10-8-19)16(21)14-6-4-5-12(2)15(14)17/h4-6,13H,3,7-11,18H2,1-2H3
InChIKeySGBJALBZXOBFFA-UHFFFAOYSA-N
XLogP1.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 63337883
ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate
CID 80710422
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81479699
[4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 154833021
[4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 55201001
(2-fluoro-3-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80717951
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 80710685
1-(2-fluoro-3-methylbenzoyl)piperidine-4-carbothioamide
CID 81477321
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-fluoro-3-methylphenyl)methanone
CID 80711261
4-(1-aminobutan-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 63338979
(2-fluoro-3-methylphenyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 81481697
2-[4-(2,3-difluorobenzoyl)piperazin-1-yl]butanenitrile
CID 63337429

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone?
The IUPAC name of [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone (CID 81479698) is [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone?
The canonical SMILES for [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone is CCC(CN)N1CCN(C(=O)c2cccc(C)c2F)CC1.
What is the InChIKey of [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone?
The InChIKey is SGBJALBZXOBFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-3-13(11-18)19-7-9-20(10-8-19)16(21)14-6-4-5-12(2)15(14)17/h4-6,13H,3,7-11,18H2,1-2H3.
What are the key properties of [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone?
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone has a molecular weight of 293.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 81479698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).