N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide

C16H33IN4 — CID 111060130

IUPACN'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCCN1CCCC/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C16H32N4.HI/c1-15-9-3-7-11-19(15)12-8-4-10-18-16(17)20-13-5-2-6-14-20;/h15H,2-14H2,1H3,(H2,17,18);1H
InChIKeyDCEVFPOATPMMBV-UHFFFAOYSA-N
MW408.37 g/mol
LogP3.06
Rot. Bonds5

About N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide

N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111060130) has the molecular formula C16H33IN4 and a molecular weight of 408.37 g/mol. Its IUPAC name is N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111060130
Molecular FormulaC16H33IN4
Molecular Weight408.37 g/mol
Exact Mass408.17
IUPAC NameN'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCCN1CCCC/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C16H32N4.HI/c1-15-9-3-7-11-19(15)12-8-4-10-18-16(17)20-13-5-2-6-14-20;/h15H,2-14H2,1H3,(H2,17,18);1H
InChIKeyDCEVFPOATPMMBV-UHFFFAOYSA-N
XLogP3.06
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide
CID 111060059
4-methyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
CID 110920148
1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060057
1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060073
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060069
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
1-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide
CID 111097020
N'-(4-cyclopentylbutyl)piperidine-1-carboximidamide
CID 111814768
2-[4-(2-methylpiperidin-1-yl)butyl]-1-phenylguanidine;hydroiodide
CID 110915715
N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111145411
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide (CID 111060130) is N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide is CC1CCCCN1CCCC/N=C(\N)N1CCCCC1.I.
What is the InChIKey of N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is DCEVFPOATPMMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4.HI/c1-15-9-3-7-11-19(15)12-8-4-10-18-16(17)20-13-5-2-6-14-20;/h15H,2-14H2,1H3,(H2,17,18);1H.
What are the key properties of N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide?
N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 408.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111060130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).