4-(4-fluorophenyl)-N'-[3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide

C20H32FN5 — CID 111056970

IUPAC4-(4-fluorophenyl)-N'-[3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide
SMILESCC1CCCN(CCC/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C20H32FN5/c1-17-4-2-10-24(16-17)11-3-9-23-20(22)26-14-12-25(13-15-26)19-7-5-18(21)6-8-19/h5-8,17H,2-4,9-16H2,1H3,(H2,22,23)
InChIKeySUVHAFLVNFRILC-UHFFFAOYSA-N
MW361.51 g/mol
LogP2.38
Rot. Bonds5

About 4-(4-fluorophenyl)-N'-[3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide

4-(4-fluorophenyl)-N'-[3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide (PubChem CID 111056970) has the molecular formula C20H32FN5 and a molecular weight of 361.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-[3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-[3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide
PubChem CID111056970
Molecular FormulaC20H32FN5
Molecular Weight361.51 g/mol
Exact Mass361.26
IUPAC Name4-(4-fluorophenyl)-N'-[3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide
SMILESCC1CCCN(CCC/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C20H32FN5/c1-17-4-2-10-24(16-17)11-3-9-23-20(22)26-14-12-25(13-15-26)19-7-5-18(21)6-8-19/h5-8,17H,2-4,9-16H2,1H3,(H2,22,23)
InChIKeySUVHAFLVNFRILC-UHFFFAOYSA-N
XLogP2.38
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111062038
4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
CID 111059813
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919904
3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111060279
4-(4-fluorophenyl)-N'-(6-methylsulfanylhexyl)piperazine-1-carboximidamide;hydroiodide
CID 110032064
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111057246
N'-(3-butoxypropyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111025856
4-(4-fluorophenyl)-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111043439
N'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide
CID 111056830
4-methyl-N'-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
CID 110920150
N'-(2-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111075047
4-(4-fluorophenyl)-N'-[3-(2-methylpropoxy)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111035685

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-[3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(4-fluorophenyl)-N'-[3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide (CID 111056970) is 4-(4-fluorophenyl)-N'-[3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-[3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-[3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide is CC1CCCN(CCC/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 4-(4-fluorophenyl)-N'-[3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide?
The InChIKey is SUVHAFLVNFRILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN5/c1-17-4-2-10-24(16-17)11-3-9-23-20(22)26-14-12-25(13-15-26)19-7-5-18(21)6-8-19/h5-8,17H,2-4,9-16H2,1H3,(H2,22,23).
What are the key properties of 4-(4-fluorophenyl)-N'-[3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide?
4-(4-fluorophenyl)-N'-[3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide has a molecular weight of 361.51 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-[3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111056970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).