N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide

C12H18ClIN4 — CID 111041986

IUPACN'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccc(Cl)nc1)N1CCCCC1
InChIInChI=1S/C12H17ClN4.HI/c13-11-5-4-10(8-15-11)9-16-12(14)17-6-2-1-3-7-17;/h4-5,8H,1-3,6-7,9H2,(H2,14,16);1H
InChIKeyDWACAFLMFIIYCQ-UHFFFAOYSA-N
MW380.66 g/mol
LogP2.65
Rot. Bonds2

About N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide

N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111041986) has the molecular formula C12H18ClIN4 and a molecular weight of 380.66 g/mol. Its IUPAC name is N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111041986
Molecular FormulaC12H18ClIN4
Molecular Weight380.66 g/mol
Exact Mass380.03
IUPAC NameN'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccc(Cl)nc1)N1CCCCC1
InChIInChI=1S/C12H17ClN4.HI/c13-11-5-4-10(8-15-11)9-16-12(14)17-6-2-1-3-7-17;/h4-5,8H,1-3,6-7,9H2,(H2,14,16);1H
InChIKeyDWACAFLMFIIYCQ-UHFFFAOYSA-N
XLogP2.65
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.66
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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

N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111041968
N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111048899
N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 111023397
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
N'-[(5-chloro-2-pyridinyl)methyl]azepane-1-carboximidamide
CID 99851350
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111041906
N'-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920159
N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide
CID 22461898
N'-[(3-chloro-4-fluorophenyl)methyl]piperidine-1-carboximidamide
CID 111045730
4-(4-chlorophenyl)-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111048884
N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111024810
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide
CID 110916460

Frequently Asked Questions

What is the IUPAC name of N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 111041986) is N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\Cc1ccc(Cl)nc1)N1CCCCC1.
What is the InChIKey of N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is DWACAFLMFIIYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4.HI/c13-11-5-4-10(8-15-11)9-16-12(14)17-6-2-1-3-7-17;/h4-5,8H,1-3,6-7,9H2,(H2,14,16);1H.
What are the key properties of N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 380.66 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111041986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).