N-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide

C16H25N3O — CID 111210315

IUPACN-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCc1ccccc1OC)N1CCC(C)CC1
InChIInChI=1S/C16H25N3O/c1-13-8-10-19(11-9-13)16(17-2)18-12-14-6-4-5-7-15(14)20-3/h4-7,13H,8-12H2,1-3H3,(H,17,18)
InChIKeyCFQJKSVETUSNKR-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.50
Rot. Bonds3

About N-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide

N-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide (PubChem CID 111210315) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
PubChem CID111210315
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCc1ccccc1OC)N1CCC(C)CC1
InChIInChI=1S/C16H25N3O/c1-13-8-10-19(11-9-13)16(17-2)18-12-14-6-4-5-7-15(14)20-3/h4-7,13H,8-12H2,1-3H3,(H,17,18)
InChIKeyCFQJKSVETUSNKR-UHFFFAOYSA-N
XLogP2.50
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.50
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'}

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111212120
N',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111209994
N-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111212095
methyl 1-[N'-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111253826
N-[(2-methoxyphenyl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378656
N',4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111210128
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111215906
N-[(4-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210992
N-[(2-ethoxy-3-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210891
4-ethoxy-N-[(2-ethoxyphenyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111960028
6,7-dimethoxy-N-[(2-methoxyphenyl)methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 111268884
N-[(6-methoxy-2-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211506

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide (CID 111210315) is N-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide is C/N=C(\NCc1ccccc1OC)N1CCC(C)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide?
The InChIKey is CFQJKSVETUSNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-8-10-19(11-9-13)16(17-2)18-12-14-6-4-5-7-15(14)20-3/h4-7,13H,8-12H2,1-3H3,(H,17,18).
What are the key properties of N-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide?
N-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide has a molecular weight of 275.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111210315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).