N-[(6-methoxy-2-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide

C15H25IN4O — CID 111211506

IUPACN-[(6-methoxy-2-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1cccc(OC)n1)N1CCC(C)CC1.I
InChIInChI=1S/C15H24N4O.HI/c1-12-7-9-19(10-8-12)15(16-2)17-11-13-5-4-6-14(18-13)20-3;/h4-6,12H,7-11H2,1-3H3,(H,16,17);1H
InChIKeyUGEJHJHOSWTTPR-UHFFFAOYSA-N
MW404.30 g/mol
LogP2.52
Rot. Bonds3

About N-[(6-methoxy-2-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide

N-[(6-methoxy-2-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111211506) has the molecular formula C15H25IN4O and a molecular weight of 404.30 g/mol. Its IUPAC name is N-[(6-methoxy-2-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[(6-methoxy-2-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111211506
Molecular FormulaC15H25IN4O
Molecular Weight404.30 g/mol
Exact Mass404.11
IUPAC NameN-[(6-methoxy-2-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1cccc(OC)n1)N1CCC(C)CC1.I
InChIInChI=1S/C15H24N4O.HI/c1-12-7-9-19(10-8-12)15(16-2)17-11-13-5-4-6-14(18-13)20-3;/h4-6,12H,7-11H2,1-3H3,(H,16,17);1H
InChIKeyUGEJHJHOSWTTPR-UHFFFAOYSA-N
XLogP2.52
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 52.52
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111960864
N-[(6-methoxy-2-pyridinyl)methyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109441741
3-benzyl-N-[(6-methoxy-2-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111724700
4-benzyl-N-[(6-methoxy-2-pyridinyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 110959756
N-[(6-methoxy-2-pyridinyl)methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110946721
N-[(4-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210992
4-(2,5-difluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 109450474
N-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210315
N',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111209994
N',4-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111210817
N-[(2-fluorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111212095
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130839

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide (CID 111211506) is N-[(6-methoxy-2-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[(6-methoxy-2-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[(6-methoxy-2-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCc1cccc(OC)n1)N1CCC(C)CC1.I.
What is the InChIKey of N-[(6-methoxy-2-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is UGEJHJHOSWTTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.HI/c1-12-7-9-19(10-8-12)15(16-2)17-11-13-5-4-6-14(18-13)20-3;/h4-6,12H,7-11H2,1-3H3,(H,16,17);1H.
What are the key properties of N-[(6-methoxy-2-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
N-[(6-methoxy-2-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 404.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111211506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).