2-(4-fluorophenyl)-2-[4-[N-methyl-C-[6-(methylideneamino)-1,2,3,4-tetrahydropyridin-5-yl]carbonimidoyl]piperazin-1-yl]ethanamine

C20H29FN6 — CID 137126049

IUPAC2-(4-fluorophenyl)-2-[4-[N-methyl-C-[6-(methylideneamino)-1,2,3,4-tetrahydropyridin-5-yl]carbonimidoyl]piperazin-1-yl]ethanamine
SMILESC=NC1=C(/C(=N/C)N2CCN(C(CN)c3ccc(F)cc3)CC2)CCCN1
InChIInChI=1S/C20H29FN6/c1-23-19-17(4-3-9-25-19)20(24-2)27-12-10-26(11-13-27)18(14-22)15-5-7-16(21)8-6-15/h5-8,18,25H,1,3-4,9-14,22H2,2H3/b24-20-
InChIKeyUJMWZUWTHPJCQN-GFMRDNFCSA-N
MW372.49 g/mol
LogP1.77
Rot. Bonds5

About 2-(4-fluorophenyl)-2-[4-[N-methyl-C-[6-(methylideneamino)-1,2,3,4-tetrahydropyridin-5-yl]carbonimidoyl]piperazin-1-yl]ethanamine

2-(4-fluorophenyl)-2-[4-[N-methyl-C-[6-(methylideneamino)-1,2,3,4-tetrahydropyridin-5-yl]carbonimidoyl]piperazin-1-yl]ethanamine (PubChem CID 137126049) has the molecular formula C20H29FN6 and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[4-[N-methyl-C-[6-(methylideneamino)-1,2,3,4-tetrahydropyridin-5-yl]carbonimidoyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[4-[N-methyl-C-[6-(methylideneamino)-1,2,3,4-tetrahydropyridin-5-yl]carbonimidoyl]piperazin-1-yl]ethanamine
PubChem CID137126049
Molecular FormulaC20H29FN6
Molecular Weight372.49 g/mol
Exact Mass372.24
IUPAC Name2-(4-fluorophenyl)-2-[4-[N-methyl-C-[6-(methylideneamino)-1,2,3,4-tetrahydropyridin-5-yl]carbonimidoyl]piperazin-1-yl]ethanamine
SMILESC=NC1=C(/C(=N/C)N2CCN(C(CN)c3ccc(F)cc3)CC2)CCCN1
InChIInChI=1S/C20H29FN6/c1-23-19-17(4-3-9-25-19)20(24-2)27-12-10-26(11-13-27)18(14-22)15-5-7-16(21)8-6-15/h5-8,18,25H,1,3-4,9-14,22H2,2H3/b24-20-
InChIKeyUJMWZUWTHPJCQN-GFMRDNFCSA-N
XLogP1.77
TPSA69.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(4-fluorophenyl)-2-[4-[N-methyl-C-[6-(methylideneamino)-1,2,3,4-tetrahydropyridin-5-yl]carbonimidoyl]piperazin-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(6,8a-dihydro-3H-quinazolin-4-ylideneamino)-N-methyl-2-phenylethanamine
CID 136277828
7-(4-methylphenyl)-5-piperazin-1-yl-2,3-dihydro-1H-1,4-diazepine
CID 44419888
N,N-diethyl-7-(2-fluorophenyl)-2,3-dihydro-1H-1,4-diazepin-5-amine
CID 44419896
1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine
CID 10563188
2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-[(2-methylphenyl)methyl]piperazine
CID 10564128
2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(2-fluorophenyl)methyl]-4-methylpiperazine
CID 10564413
1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)piperazine
CID 10569756
1-[2-(Trifluoromethyl)benzyl]-2-(2-imidazolin-2-yl)-4-methylpiperazine
CID 10711228
1,4-dibenzyl-2-(4,5-dihydro-1H-imidazol-2-yl)piperazine
CID 10735467
1-[(2,4-difluorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine
CID 10756202
N-[(3-Fluorophenyl)methyl]-4-{3-methyl-2H,3H-imidazo[1,2-C]pyrimidin-7-YL}piperazine-1-carboxamide
CID 53184244
4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(4-fluorobenzyl)tetrahydro-1(2H)-pyrazinecarboxamide
CID 53184332

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[4-[N-methyl-C-[6-(methylideneamino)-1,2,3,4-tetrahydropyridin-5-yl]carbonimidoyl]piperazin-1-yl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-2-[4-[N-methyl-C-[6-(methylideneamino)-1,2,3,4-tetrahydropyridin-5-yl]carbonimidoyl]piperazin-1-yl]ethanamine (CID 137126049) is 2-(4-fluorophenyl)-2-[4-[N-methyl-C-[6-(methylideneamino)-1,2,3,4-tetrahydropyridin-5-yl]carbonimidoyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[4-[N-methyl-C-[6-(methylideneamino)-1,2,3,4-tetrahydropyridin-5-yl]carbonimidoyl]piperazin-1-yl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-2-[4-[N-methyl-C-[6-(methylideneamino)-1,2,3,4-tetrahydropyridin-5-yl]carbonimidoyl]piperazin-1-yl]ethanamine is C=NC1=C(/C(=N/C)N2CCN(C(CN)c3ccc(F)cc3)CC2)CCCN1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[4-[N-methyl-C-[6-(methylideneamino)-1,2,3,4-tetrahydropyridin-5-yl]carbonimidoyl]piperazin-1-yl]ethanamine?
The InChIKey is UJMWZUWTHPJCQN-GFMRDNFCSA-N. The full InChI is InChI=1S/C20H29FN6/c1-23-19-17(4-3-9-25-19)20(24-2)27-12-10-26(11-13-27)18(14-22)15-5-7-16(21)8-6-15/h5-8,18,25H,1,3-4,9-14,22H2,2H3/b24-20-.
What are the key properties of 2-(4-fluorophenyl)-2-[4-[N-methyl-C-[6-(methylideneamino)-1,2,3,4-tetrahydropyridin-5-yl]carbonimidoyl]piperazin-1-yl]ethanamine?
2-(4-fluorophenyl)-2-[4-[N-methyl-C-[6-(methylideneamino)-1,2,3,4-tetrahydropyridin-5-yl]carbonimidoyl]piperazin-1-yl]ethanamine has a molecular weight of 372.49 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[4-[N-methyl-C-[6-(methylideneamino)-1,2,3,4-tetrahydropyridin-5-yl]carbonimidoyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 137126049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).