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

C14H20FN3O — CID 62515821

IUPAC[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)N2CCN(CCN)CC2)c1
InChIInChI=1S/C14H20FN3O/c1-11-2-3-13(15)12(10-11)14(19)18-8-6-17(5-4-16)7-9-18/h2-3,10H,4-9,16H2,1H3
InChIKeyKJCMNJRVCKZXOQ-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.85
Rot. Bonds3

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

[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone (PubChem CID 62515821) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is [4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone
PubChem CID62515821
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)N2CCN(CCN)CC2)c1
InChIInChI=1S/C14H20FN3O/c1-11-2-3-13(15)12(10-11)14(19)18-8-6-17(5-4-16)7-9-18/h2-3,10H,4-9,16H2,1H3
InChIKeyKJCMNJRVCKZXOQ-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

(2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone
CID 62508835
azetidin-1-yl-(2-fluoro-5-methylphenyl)methanone
CID 118296976
[4-(2-aminoethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63049798
(4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone
CID 70215264
(2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone
CID 62514775
[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674348
(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 62510549
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
[4-(2-aminoethyl)-1,4-diazepan-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63049975
(2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62509275
(2-amino-5-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 55083080
4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64680512

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone?
The IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone (CID 62515821) is [4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for [4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone is Cc1ccc(F)c(C(=O)N2CCN(CCN)CC2)c1.
What is the InChIKey of [4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone?
The InChIKey is KJCMNJRVCKZXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-11-2-3-13(15)12(10-11)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]-(2-fluoro-5-methylphenyl)methanone?
[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-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]-(2-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 62515821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).