3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide

C17H26IN3 — CID 111038838

IUPAC3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC2(c3ccccc3)CC2)C1.I
InChIInChI=1S/C17H25N3.HI/c1-14-6-5-11-20(12-14)16(18)19-13-17(9-10-17)15-7-3-2-4-8-15;/h2-4,7-8,14H,5-6,9-13H2,1H3,(H2,18,19);1H
InChIKeyKSISBMMPBZXXFL-UHFFFAOYSA-N
MW399.32 g/mol
LogP3.38
Rot. Bonds3

About 3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide

3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111038838) has the molecular formula C17H26IN3 and a molecular weight of 399.32 g/mol. Its IUPAC name is 3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111038838
Molecular FormulaC17H26IN3
Molecular Weight399.32 g/mol
Exact Mass399.12
IUPAC Name3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC2(c3ccccc3)CC2)C1.I
InChIInChI=1S/C17H25N3.HI/c1-14-6-5-11-20(12-14)16(18)19-13-17(9-10-17)15-7-3-2-4-8-15;/h2-4,7-8,14H,5-6,9-13H2,1H3,(H2,18,19);1H
InChIKeyKSISBMMPBZXXFL-UHFFFAOYSA-N
XLogP3.38
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 53.38
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111091582
N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111816568
N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038801
N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038642
N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111088654
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
N'-[(1-phenylcyclopropyl)methyl]thiomorpholine-4-carboximidamide
CID 111038851
3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111970356
3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 111037466
3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide
CID 111032436
3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
CID 111036940
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111053491

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 111038838) is 3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide is CC1CCCN(/C(N)=N/CC2(c3ccccc3)CC2)C1.I.
What is the InChIKey of 3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is KSISBMMPBZXXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3.HI/c1-14-6-5-11-20(12-14)16(18)19-13-17(9-10-17)15-7-3-2-4-8-15;/h2-4,7-8,14H,5-6,9-13H2,1H3,(H2,18,19);1H.
What are the key properties of 3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide?
3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 399.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111038838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).