(3-amino-2,6-difluorophenyl)-(4-ethylpiperazin-1-yl)methanone

C13H17F2N3O — CID 79772864

IUPAC(3-amino-2,6-difluorophenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2c(F)ccc(N)c2F)CC1
InChIInChI=1S/C13H17F2N3O/c1-2-17-5-7-18(8-6-17)13(19)11-9(14)3-4-10(16)12(11)15/h3-4H,2,5-8,16H2,1H3
InChIKeyMICGZMQJZPMPAW-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.32
Rot. Bonds2

About (3-amino-2,6-difluorophenyl)-(4-ethylpiperazin-1-yl)methanone

(3-amino-2,6-difluorophenyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 79772864) has the molecular formula C13H17F2N3O and a molecular weight of 269.29 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2,6-difluorophenyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID79772864
Molecular FormulaC13H17F2N3O
Molecular Weight269.29 g/mol
Exact Mass269.13
IUPAC Name(3-amino-2,6-difluorophenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2c(F)ccc(N)c2F)CC1
InChIInChI=1S/C13H17F2N3O/c1-2-17-5-7-18(8-6-17)13(19)11-9(14)3-4-10(16)12(11)15/h3-4H,2,5-8,16H2,1H3
InChIKeyMICGZMQJZPMPAW-UHFFFAOYSA-N
XLogP1.32
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-amino-2,6-difluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 79773430
(3-amino-2,6-difluorophenyl)-(4-methylpiperazin-1-yl)methanone
CID 79767871
(3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 79759552
(3-amino-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 39354170
(3-amino-2,6-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 79773364
(2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 113250757
4-(3-amino-2,6-difluorobenzoyl)-1-methylpiperazin-2-one
CID 79773177
(3-amino-2,6-difluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 79772968
(2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16792662
(3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 79773812
(3-bromo-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 67385652
(3-amino-2,6-difluorophenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 79772761

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,6-difluorophenyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (3-amino-2,6-difluorophenyl)-(4-ethylpiperazin-1-yl)methanone (CID 79772864) is (3-amino-2,6-difluorophenyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-amino-2,6-difluorophenyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (3-amino-2,6-difluorophenyl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2c(F)ccc(N)c2F)CC1.
What is the InChIKey of (3-amino-2,6-difluorophenyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is MICGZMQJZPMPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O/c1-2-17-5-7-18(8-6-17)13(19)11-9(14)3-4-10(16)12(11)15/h3-4H,2,5-8,16H2,1H3.
What are the key properties of (3-amino-2,6-difluorophenyl)-(4-ethylpiperazin-1-yl)methanone?
(3-amino-2,6-difluorophenyl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 269.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,6-difluorophenyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 79772864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).