4-(4-fluorophenyl)-N'-[(4-methoxycyclohexyl)methyl]piperazine-1-carboximidamide

C19H29FN4O — CID 119148519

IUPAC4-(4-fluorophenyl)-N'-[(4-methoxycyclohexyl)methyl]piperazine-1-carboximidamide
SMILESCOC1CCC(C/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C19H29FN4O/c1-25-18-8-2-15(3-9-18)14-22-19(21)24-12-10-23(11-13-24)17-6-4-16(20)5-7-17/h4-7,15,18H,2-3,8-14H2,1H3,(H2,21,22)
InChIKeySAIKGMCFOKWGHI-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.47
Rot. Bonds4

About 4-(4-fluorophenyl)-N'-[(4-methoxycyclohexyl)methyl]piperazine-1-carboximidamide

4-(4-fluorophenyl)-N'-[(4-methoxycyclohexyl)methyl]piperazine-1-carboximidamide (PubChem CID 119148519) has the molecular formula C19H29FN4O and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-[(4-methoxycyclohexyl)methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-[(4-methoxycyclohexyl)methyl]piperazine-1-carboximidamide
PubChem CID119148519
Molecular FormulaC19H29FN4O
Molecular Weight348.47 g/mol
Exact Mass348.23
IUPAC Name4-(4-fluorophenyl)-N'-[(4-methoxycyclohexyl)methyl]piperazine-1-carboximidamide
SMILESCOC1CCC(C/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C19H29FN4O/c1-25-18-8-2-15(3-9-18)14-22-19(21)24-12-10-23(11-13-24)17-6-4-16(20)5-7-17/h4-7,15,18H,2-3,8-14H2,1H3,(H2,21,22)
InChIKeySAIKGMCFOKWGHI-UHFFFAOYSA-N
XLogP2.47
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-N'-[(4-methoxycyclohexyl)methyl]piperazine-1-carboximidamide 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

4-(4-fluorophenyl)-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111803667
N'-[(4-cyanocyclohexyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 120727905
4-(4-fluorophenyl)-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111077564
4-(4-fluorophenyl)-N'-(oxan-3-ylmethyl)piperazine-1-carboximidamide
CID 119119749
4-(4-fluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]piperazine-1-carboximidamide
CID 111802822
N'-[(1,1-dioxothiolan-3-yl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111045921
N'-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111084722
N'-(2-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111075047
N'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 119148504
N'-[2-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111821827
4-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide
CID 119120037
N'-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111808438

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-[(4-methoxycyclohexyl)methyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(4-fluorophenyl)-N'-[(4-methoxycyclohexyl)methyl]piperazine-1-carboximidamide (CID 119148519) is 4-(4-fluorophenyl)-N'-[(4-methoxycyclohexyl)methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-[(4-methoxycyclohexyl)methyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-[(4-methoxycyclohexyl)methyl]piperazine-1-carboximidamide is COC1CCC(C/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N'-[(4-methoxycyclohexyl)methyl]piperazine-1-carboximidamide?
The InChIKey is SAIKGMCFOKWGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O/c1-25-18-8-2-15(3-9-18)14-22-19(21)24-12-10-23(11-13-24)17-6-4-16(20)5-7-17/h4-7,15,18H,2-3,8-14H2,1H3,(H2,21,22).
What are the key properties of 4-(4-fluorophenyl)-N'-[(4-methoxycyclohexyl)methyl]piperazine-1-carboximidamide?
4-(4-fluorophenyl)-N'-[(4-methoxycyclohexyl)methyl]piperazine-1-carboximidamide has a molecular weight of 348.47 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-[(4-methoxycyclohexyl)methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 119148519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).