N'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide

C16H25N3O2 — CID 111045848

IUPACN'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
SMILESCOc1cccc(C/N=C(\N)N2CCCC(C)C2)c1OC
InChIInChI=1S/C16H25N3O2/c1-12-6-5-9-19(11-12)16(17)18-10-13-7-4-8-14(20-2)15(13)21-3/h4,7-8,12H,5-6,9-11H2,1-3H3,(H2,17,18)
InChIKeyDVMVTPDQAQVLDR-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.25
Rot. Bonds4

About N'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide

N'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111045848) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111045848
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
SMILESCOc1cccc(C/N=C(\N)N2CCCC(C)C2)c1OC
InChIInChI=1S/C16H25N3O2/c1-12-6-5-9-19(11-12)16(17)18-10-13-7-4-8-14(20-2)15(13)21-3/h4,7-8,12H,5-6,9-11H2,1-3H3,(H2,17,18)
InChIKeyDVMVTPDQAQVLDR-UHFFFAOYSA-N
XLogP2.25
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.25
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'-[(2-hydroxy-3-methoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111099970
N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111044308
N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 75534630
N'-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111100219
N'-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111050818
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111053491
N'-[(2-hydroxy-3-methoxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935470
[1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 6963032
3-methyl-N'-[[2-(methylsulfonylmethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 86778441
N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111087503
N'-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111045773
N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111036311

Frequently Asked Questions

What is the IUPAC name of N'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide (CID 111045848) is N'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide is COc1cccc(C/N=C(\N)N2CCCC(C)C2)c1OC.
What is the InChIKey of N'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is DVMVTPDQAQVLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-6-5-9-19(11-12)16(17)18-10-13-7-4-8-14(20-2)15(13)21-3/h4,7-8,12H,5-6,9-11H2,1-3H3,(H2,17,18).
What are the key properties of N'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide?
N'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 291.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111045848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).