N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide

C18H26FN3 — CID 111091582

IUPACN'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC2(c3ccc(F)cc3)CCC2)C1
InChIInChI=1S/C18H26FN3/c1-14-4-2-11-22(12-14)17(20)21-13-18(9-3-10-18)15-5-7-16(19)8-6-15/h5-8,14H,2-4,9-13H2,1H3,(H2,20,21)
InChIKeySCAAPHCQVHWSMA-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.29
Rot. Bonds3

About N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide

N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111091582) has the molecular formula C18H26FN3 and a molecular weight of 303.43 g/mol. Its IUPAC name is N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111091582
Molecular FormulaC18H26FN3
Molecular Weight303.43 g/mol
Exact Mass303.21
IUPAC NameN'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC2(c3ccc(F)cc3)CCC2)C1
InChIInChI=1S/C18H26FN3/c1-14-4-2-11-22(12-14)17(20)21-13-18(9-3-10-18)15-5-7-16(19)8-6-15/h5-8,14H,2-4,9-13H2,1H3,(H2,20,21)
InChIKeySCAAPHCQVHWSMA-UHFFFAOYSA-N
XLogP3.29
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111038838
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111091599
N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111816568
N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide
CID 111068160
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111062038
N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide
CID 111820282
N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide
CID 86779414
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111056533
N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111088654
N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperidine-1-carboximidamide
CID 111082627
N'-[N'-(4-fluorophenyl)carbamimidoyl]-3-methylpiperidine-1-carboximidamide
CID 78321574
N'-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111045773

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide (CID 111091582) is N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CC2(c3ccc(F)cc3)CCC2)C1.
What is the InChIKey of N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is SCAAPHCQVHWSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3/c1-14-4-2-11-22(12-14)17(20)21-13-18(9-3-10-18)15-5-7-16(19)8-6-15/h5-8,14H,2-4,9-13H2,1H3,(H2,20,21).
What are the key properties of N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide?
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 303.43 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111091582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).