N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

C14H23IN4O — CID 111041610

IUPACN'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCOc1cc(C/N=C(\N)N2CCCC(C)C2)ccn1.I
InChIInChI=1S/C14H22N4O.HI/c1-11-4-3-7-18(10-11)14(15)17-9-12-5-6-16-13(8-12)19-2;/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H2,15,17);1H
InChIKeyUABAZVWKNVAKKK-UHFFFAOYSA-N
MW390.27 g/mol
LogP2.25
Rot. Bonds3

About N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111041610) has the molecular formula C14H23IN4O and a molecular weight of 390.27 g/mol. Its IUPAC name is N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111041610
Molecular FormulaC14H23IN4O
Molecular Weight390.27 g/mol
Exact Mass390.09
IUPAC NameN'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCOc1cc(C/N=C(\N)N2CCCC(C)C2)ccn1.I
InChIInChI=1S/C14H22N4O.HI/c1-11-4-3-7-18(10-11)14(15)17-9-12-5-6-16-13(8-12)19-2;/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H2,15,17);1H
InChIKeyUABAZVWKNVAKKK-UHFFFAOYSA-N
XLogP2.25
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111041232
3-methyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide
CID 111049058
N'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919958
N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111066663
N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 120580585
3-methyl-N'-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111047995
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364
3-methyl-N'-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111048077
3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111081464
N'-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111050818
N'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111093946
N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045706

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 111041610) is N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is COc1cc(C/N=C(\N)N2CCCC(C)C2)ccn1.I.
What is the InChIKey of N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is UABAZVWKNVAKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O.HI/c1-11-4-3-7-18(10-11)14(15)17-9-12-5-6-16-13(8-12)19-2;/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H2,15,17);1H.
What are the key properties of N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 390.27 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111041610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).