2-N-(1-ethylpiperidin-4-yl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine

C14H21F2N3 — CID 55086413

IUPAC2-N-(1-ethylpiperidin-4-yl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine
SMILESCCN1CCC(N(C)c2c(N)ccc(F)c2F)CC1
InChIInChI=1S/C14H21F2N3/c1-3-19-8-6-10(7-9-19)18(2)14-12(17)5-4-11(15)13(14)16/h4-5,10H,3,6-9,17H2,1-2H3
InChIKeyQOOJVINRNVSKIE-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.47
Rot. Bonds3

About 2-N-(1-ethylpiperidin-4-yl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine

2-N-(1-ethylpiperidin-4-yl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine (PubChem CID 55086413) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-N-(1-ethylpiperidin-4-yl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-ethylpiperidin-4-yl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine
PubChem CID55086413
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-N-(1-ethylpiperidin-4-yl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine
SMILESCCN1CCC(N(C)c2c(N)ccc(F)c2F)CC1
InChIInChI=1S/C14H21F2N3/c1-3-19-8-6-10(7-9-19)18(2)14-12(17)5-4-11(15)13(14)16/h4-5,10H,3,6-9,17H2,1-2H3
InChIKeyQOOJVINRNVSKIE-UHFFFAOYSA-N
XLogP2.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.47
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

3,4-difluoro-2-N-methyl-2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine
CID 62531948
N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 55004343
1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,2-diamine
CID 55004013
2-N-cyclopentyl-2-N-ethyl-3,4-difluorobenzene-1,2-diamine
CID 62532833
4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyridine-3,4-diamine
CID 55004739
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide
CID 82845259
1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,3-diamine
CID 62912336
3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide
CID 43574421
4-N-(1-ethylpiperidin-4-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80820695
3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine
CID 55004205
N-[4-(2-aminoethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 63785374
2-[(1-ethylpiperidin-4-yl)-methylamino]-6-fluorobenzoic acid
CID 79512417

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-ethylpiperidin-4-yl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(1-ethylpiperidin-4-yl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine (CID 55086413) is 2-N-(1-ethylpiperidin-4-yl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-ethylpiperidin-4-yl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(1-ethylpiperidin-4-yl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine is CCN1CCC(N(C)c2c(N)ccc(F)c2F)CC1.
What is the InChIKey of 2-N-(1-ethylpiperidin-4-yl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine?
The InChIKey is QOOJVINRNVSKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-3-19-8-6-10(7-9-19)18(2)14-12(17)5-4-11(15)13(14)16/h4-5,10H,3,6-9,17H2,1-2H3.
What are the key properties of 2-N-(1-ethylpiperidin-4-yl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine?
2-N-(1-ethylpiperidin-4-yl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine has a molecular weight of 269.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-ethylpiperidin-4-yl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 55086413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).