N'-(3,6-dihydro-2H-pyran-4-ylmethyl)-3-methylpiperidine-1-carboximidamide

C13H23N3O — CID 122097184

IUPACN'-(3,6-dihydro-2H-pyran-4-ylmethyl)-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC2=CCOCC2)C1
InChIInChI=1S/C13H23N3O/c1-11-3-2-6-16(10-11)13(14)15-9-12-4-7-17-8-5-12/h4,11H,2-3,5-10H2,1H3,(H2,14,15)
InChIKeyUMPRHRJYIYFBCX-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.38
Rot. Bonds2

About N'-(3,6-dihydro-2H-pyran-4-ylmethyl)-3-methylpiperidine-1-carboximidamide

N'-(3,6-dihydro-2H-pyran-4-ylmethyl)-3-methylpiperidine-1-carboximidamide (PubChem CID 122097184) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N'-(3,6-dihydro-2H-pyran-4-ylmethyl)-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(3,6-dihydro-2H-pyran-4-ylmethyl)-3-methylpiperidine-1-carboximidamide
PubChem CID122097184
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN'-(3,6-dihydro-2H-pyran-4-ylmethyl)-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC2=CCOCC2)C1
InChIInChI=1S/C13H23N3O/c1-11-3-2-6-16(10-11)13(14)15-9-12-4-7-17-8-5-12/h4,11H,2-3,5-10H2,1H3,(H2,14,15)
InChIKeyUMPRHRJYIYFBCX-UHFFFAOYSA-N
XLogP1.38
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]azepane-1-carboximidamide
CID 109377857
N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111065039
3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063224
N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111022379
N'-[(2,5-dimethylfuran-3-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111813204
N'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 122098058
N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045706
3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111081464
4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
CID 111030232
N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 120580585
3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111037394
N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111051628

Frequently Asked Questions

What is the IUPAC name of N'-(3,6-dihydro-2H-pyran-4-ylmethyl)-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-(3,6-dihydro-2H-pyran-4-ylmethyl)-3-methylpiperidine-1-carboximidamide (CID 122097184) is N'-(3,6-dihydro-2H-pyran-4-ylmethyl)-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(3,6-dihydro-2H-pyran-4-ylmethyl)-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(3,6-dihydro-2H-pyran-4-ylmethyl)-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CC2=CCOCC2)C1.
What is the InChIKey of N'-(3,6-dihydro-2H-pyran-4-ylmethyl)-3-methylpiperidine-1-carboximidamide?
The InChIKey is UMPRHRJYIYFBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11-3-2-6-16(10-11)13(14)15-9-12-4-7-17-8-5-12/h4,11H,2-3,5-10H2,1H3,(H2,14,15).
What are the key properties of N'-(3,6-dihydro-2H-pyran-4-ylmethyl)-3-methylpiperidine-1-carboximidamide?
N'-(3,6-dihydro-2H-pyran-4-ylmethyl)-3-methylpiperidine-1-carboximidamide has a molecular weight of 237.35 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,6-dihydro-2H-pyran-4-ylmethyl)-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 122097184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).