[4-(2-aminoethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone

C14H20FN3O — CID 63049798

IUPAC[4-(2-aminoethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)N1CCN(CCN)CC1
InChIInChI=1S/C14H20FN3O/c1-11-2-3-12(15)10-13(11)14(19)18-8-6-17(5-4-16)7-9-18/h2-3,10H,4-9,16H2,1H3
InChIKeyRFKBCDAXMRCMBQ-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.85
Rot. Bonds3

About [4-(2-aminoethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone

[4-(2-aminoethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone (PubChem CID 63049798) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is [4-(2-aminoethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone
PubChem CID63049798
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name[4-(2-aminoethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)N1CCN(CCN)CC1
InChIInChI=1S/C14H20FN3O/c1-11-2-3-12(15)10-13(11)14(19)18-8-6-17(5-4-16)7-9-18/h2-3,10H,4-9,16H2,1H3
InChIKeyRFKBCDAXMRCMBQ-UHFFFAOYSA-N
XLogP0.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-aminoethyl)-1,4-diazepan-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63049975
[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 62515821
(5-fluoro-2-methylphenyl)-[4-(2-methylsulfonylethyl)-1,4-diazepan-1-yl]methanone
CID 134704091
(5-fluoro-2-methylphenyl)-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 95312485
[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674348
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 48868968
2-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]propanethioamide
CID 63340463
(2-bromo-5-fluorophenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 60698518
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63765748
(2,5-dimethylphenyl)-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110814877
[4-(5-fluoro-2-methylbenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 86991528
[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 33261222

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
The IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone (CID 63049798) is [4-(2-aminoethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
The canonical SMILES for [4-(2-aminoethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone is Cc1ccc(F)cc1C(=O)N1CCN(CCN)CC1.
What is the InChIKey of [4-(2-aminoethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
The InChIKey is RFKBCDAXMRCMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-11-2-3-12(15)10-13(11)14(19)18-8-6-17(5-4-16)7-9-18/h2-3,10H,4-9,16H2,1H3.
What are the key properties of [4-(2-aminoethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
[4-(2-aminoethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone has a molecular weight of 265.33 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 63049798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).