N'-(2,2-diethyl-4-hydroxybutyl)piperidine-1-carboximidamide

C14H29N3O — CID 111822959

IUPACN'-(2,2-diethyl-4-hydroxybutyl)piperidine-1-carboximidamide
SMILESCCC(CC)(CCO)C/N=C(\N)N1CCCCC1
InChIInChI=1S/C14H29N3O/c1-3-14(4-2,8-11-18)12-16-13(15)17-9-6-5-7-10-17/h18H,3-12H2,1-2H3,(H2,15,16)
InChIKeyTXFMQZQHLLOWBV-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.98
Rot. Bonds6

About N'-(2,2-diethyl-4-hydroxybutyl)piperidine-1-carboximidamide

N'-(2,2-diethyl-4-hydroxybutyl)piperidine-1-carboximidamide (PubChem CID 111822959) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N'-(2,2-diethyl-4-hydroxybutyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2,2-diethyl-4-hydroxybutyl)piperidine-1-carboximidamide
PubChem CID111822959
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN'-(2,2-diethyl-4-hydroxybutyl)piperidine-1-carboximidamide
SMILESCCC(CC)(CCO)C/N=C(\N)N1CCCCC1
InChIInChI=1S/C14H29N3O/c1-3-14(4-2,8-11-18)12-16-13(15)17-9-6-5-7-10-17/h18H,3-12H2,1-2H3,(H2,15,16)
InChIKeyTXFMQZQHLLOWBV-UHFFFAOYSA-N
XLogP1.98
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-propylazocane-1-carboximidamide
CID 62361040
N'-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azetidine-1-carboximidamide
CID 122095587
N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
CID 111823571
N'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide
CID 111757989
N'-[2-(diethylamino)-4-methylpentyl]piperidine-1-carboximidamide;hydroiodide
CID 111042486
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-[(1-ethylcyclopropyl)methyl]piperidine-1-carboximidamide
CID 111824620
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
N'-methylazocane-1-carboximidamide
CID 62359325
N'-[3-(2-hydroxyethoxy)propyl]piperidine-1-carboximidamide
CID 110018616
N'-tert-butylazocane-1-carboximidamide
CID 62361042
N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide
CID 111040316

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-diethyl-4-hydroxybutyl)piperidine-1-carboximidamide?
The IUPAC name of N'-(2,2-diethyl-4-hydroxybutyl)piperidine-1-carboximidamide (CID 111822959) is N'-(2,2-diethyl-4-hydroxybutyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(2,2-diethyl-4-hydroxybutyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-(2,2-diethyl-4-hydroxybutyl)piperidine-1-carboximidamide is CCC(CC)(CCO)C/N=C(\N)N1CCCCC1.
What is the InChIKey of N'-(2,2-diethyl-4-hydroxybutyl)piperidine-1-carboximidamide?
The InChIKey is TXFMQZQHLLOWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-14(4-2,8-11-18)12-16-13(15)17-9-6-5-7-10-17/h18H,3-12H2,1-2H3,(H2,15,16).
What are the key properties of N'-(2,2-diethyl-4-hydroxybutyl)piperidine-1-carboximidamide?
N'-(2,2-diethyl-4-hydroxybutyl)piperidine-1-carboximidamide has a molecular weight of 255.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-diethyl-4-hydroxybutyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111822959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).