N'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide

C15H21N3O2 — CID 110919465

IUPACN'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H21N3O2/c1-11-4-6-18(7-5-11)15(16)17-9-12-2-3-13-14(8-12)20-10-19-13/h2-3,8,11H,4-7,9-10H2,1H3,(H2,16,17)
InChIKeyRZFDWRMBLQUPTM-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.96
Rot. Bonds2

About N'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide

N'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide (PubChem CID 110919465) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide
PubChem CID110919465
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H21N3O2/c1-11-4-6-18(7-5-11)15(16)17-9-12-2-3-13-14(8-12)20-10-19-13/h2-3,8,11H,4-7,9-10H2,1H3,(H2,16,17)
InChIKeyRZFDWRMBLQUPTM-UHFFFAOYSA-N
XLogP1.96
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.96
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'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935085
N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110920413
N'-[N'-(1,3-benzodioxol-5-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 161285939
N'-(1,3-benzodioxol-5-ylmethyl)cyclopentanecarboximidamide
CID 63174498
N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920412
N'-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920623
N'-[(3-bromo-4-methoxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110927914
N'-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpropanimidamide
CID 55160343
4-(1,3-benzodioxol-5-ylmethyl)-N'-ethylpiperazine-1-carboximidamide;hydroiodide
CID 111188900
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methylpiperidine-1-carboximidamide
CID 110920365
4-methyl-N'-(1,2-oxazol-3-ylmethyl)piperidine-1-carboximidamide
CID 111601356
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110919433

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide (CID 110919465) is N'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/Cc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide?
The InChIKey is RZFDWRMBLQUPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-4-6-18(7-5-11)15(16)17-9-12-2-3-13-14(8-12)20-10-19-13/h2-3,8,11H,4-7,9-10H2,1H3,(H2,16,17).
What are the key properties of N'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide?
N'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide has a molecular weight of 275.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110919465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).