N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide

C19H30FN5 — CID 110919904

IUPACN'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCN2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C19H30FN5/c1-16-6-9-25(10-7-16)19(21)22-8-11-23-12-14-24(15-13-23)18-4-2-17(20)3-5-18/h2-5,16H,6-15H2,1H3,(H2,21,22)
InChIKeyJDQDHJNNNYBGEE-UHFFFAOYSA-N
MW347.48 g/mol
LogP1.99
Rot. Bonds4

About N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide

N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110919904) has the molecular formula C19H30FN5 and a molecular weight of 347.48 g/mol. Its IUPAC name is N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110919904
Molecular FormulaC19H30FN5
Molecular Weight347.48 g/mol
Exact Mass347.25
IUPAC NameN'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCN2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C19H30FN5/c1-16-6-9-25(10-7-16)19(21)22-8-11-23-12-14-24(15-13-23)18-4-2-17(20)3-5-18/h2-5,16H,6-15H2,1H3,(H2,21,22)
InChIKeyJDQDHJNNNYBGEE-UHFFFAOYSA-N
XLogP1.99
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 51.99
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'}

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Related Compounds

N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111062038
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111057246
4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide
CID 110921127
4-(4-fluorophenyl)-N'-[3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide
CID 111056970
N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919526
4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
CID 111059813
N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919171
4-(4-fluorophenyl)-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111077564
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
4-(4-fluorophenyl)-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111043439
4-(4-chlorophenyl)-N'-[2-(4-ethylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111057235
N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920788

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide (CID 110919904) is N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/CCN2CCN(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is JDQDHJNNNYBGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN5/c1-16-6-9-25(10-7-16)19(21)22-8-11-23-12-14-24(15-13-23)18-4-2-17(20)3-5-18/h2-5,16H,6-15H2,1H3,(H2,21,22).
What are the key properties of N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide?
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 347.48 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110919904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).