N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide

C14H21ClIN3 — CID 111024810

IUPACN'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C14H20ClN3.HI/c15-13-6-4-12(5-7-13)8-9-17-14(16)18-10-2-1-3-11-18;/h4-7H,1-3,8-11H2,(H2,16,17);1H
InChIKeyMQNVNHRMSMSHBZ-UHFFFAOYSA-N
MW393.70 g/mol
LogP3.30
Rot. Bonds3

About N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide

N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111024810) has the molecular formula C14H21ClIN3 and a molecular weight of 393.70 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111024810
Molecular FormulaC14H21ClIN3
Molecular Weight393.70 g/mol
Exact Mass393.05
IUPAC NameN'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C14H20ClN3.HI/c15-13-6-4-12(5-7-13)8-9-17-14(16)18-10-2-1-3-11-18;/h4-7H,1-3,8-11H2,(H2,16,17);1H
InChIKeyMQNVNHRMSMSHBZ-UHFFFAOYSA-N
XLogP3.30
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.70
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111076048
N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide
CID 100674114
N'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide
CID 75513059
N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide;hydroiodide
CID 111067891
N'-[2-(4-chlorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110955953
N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]azepane-1-carboximidamide;dihydrochloride
CID 142720634
N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111026079
N'-[(3-chloro-4-fluorophenyl)methyl]piperidine-1-carboximidamide
CID 111045730
N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide
CID 111077789
N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide
CID 111067892
N'-[N'-[2-(4-fluorophenyl)ethyl]carbamimidoyl]azepane-1-carboximidamide;hydrochloride
CID 162311545
N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide
CID 111026080

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 111024810) is N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\CCc1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is MQNVNHRMSMSHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3.HI/c15-13-6-4-12(5-7-13)8-9-17-14(16)18-10-2-1-3-11-18;/h4-7H,1-3,8-11H2,(H2,16,17);1H.
What are the key properties of N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide?
N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 393.70 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111024810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).