1-methylpiperidine-3-carboximidamide

C7H15N3 — CID 42614742

IUPAC1-methylpiperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(C)C1
InChIInChI=1S/C7H15N3/c1-10-4-2-3-6(5-10)7(8)9/h6H,2-5H2,1H3,(H3,8,9)
InChIKeyYOEDLRORQIKPJA-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.26
Rot. Bonds1

About 1-methylpiperidine-3-carboximidamide

1-methylpiperidine-3-carboximidamide (PubChem CID 42614742) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 1-methylpiperidine-3-carboximidamide.

Molecular Properties

Compound Name1-methylpiperidine-3-carboximidamide
PubChem CID42614742
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name1-methylpiperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(C)C1
InChIInChI=1S/C7H15N3/c1-10-4-2-3-6(5-10)7(8)9/h6H,2-5H2,1H3,(H3,8,9)
InChIKeyYOEDLRORQIKPJA-UHFFFAOYSA-N
XLogP0.26
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-(1-methylpiperidin-3-yl)ethenamine
CID 58035148
2-fluoro-2-(1-methylpiperidin-3-yl)ethanimidamide
CID 115014167
1,4-dimethylpiperazine-2-carboximidamide
CID 79662206
1-(methylsulfonylmethylsulfonyl)piperidine-3-carboximidamide
CID 82843404
1-(propan-2-ylsulfamoyl)piperidine-3-carboximidamide
CID 114813516
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
1-methylpiperidine-3-carbothioic S-acid
CID 116918903
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
1-(tert-butylsulfamoyl)piperidine-3-carboximidamide
CID 114813519
N-methyl-N-(1-methylpiperidin-3-yl)cyclohexanecarboximidamide
CID 55159383
1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide
CID 103134708
4-methylmorpholine-2-carboximidamide
CID 75481075

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidine-3-carboximidamide?
The IUPAC name of 1-methylpiperidine-3-carboximidamide (CID 42614742) is 1-methylpiperidine-3-carboximidamide.
What is the SMILES notation for 1-methylpiperidine-3-carboximidamide?
The canonical SMILES for 1-methylpiperidine-3-carboximidamide is [H]/N=C(\N)C1CCCN(C)C1.
What is the InChIKey of 1-methylpiperidine-3-carboximidamide?
The InChIKey is YOEDLRORQIKPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-10-4-2-3-6(5-10)7(8)9/h6H,2-5H2,1H3,(H3,8,9).
What are the key properties of 1-methylpiperidine-3-carboximidamide?
1-methylpiperidine-3-carboximidamide has a molecular weight of 141.22 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine-3-carboximidamide is sourced from PubChem (CID 42614742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).