N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide

C18H29N3O — CID 111089079

IUPACN'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide
SMILESCCC(O)(CC)C/N=C(/Nc1ccccc1)N1CCCCC1
InChIInChI=1S/C18H29N3O/c1-3-18(22,4-2)15-19-17(21-13-9-6-10-14-21)20-16-11-7-5-8-12-16/h5,7-8,11-12,22H,3-4,6,9-10,13-15H2,1-2H3,(H,19,20)
InChIKeyBZPZENYTCOICLN-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.49
Rot. Bonds5

About N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide

N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide (PubChem CID 111089079) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide
PubChem CID111089079
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide
SMILESCCC(O)(CC)C/N=C(/Nc1ccccc1)N1CCCCC1
InChIInChI=1S/C18H29N3O/c1-3-18(22,4-2)15-19-17(21-13-9-6-10-14-21)20-16-11-7-5-8-12-16/h5,7-8,11-12,22H,3-4,6,9-10,13-15H2,1-2H3,(H,19,20)
InChIKeyBZPZENYTCOICLN-UHFFFAOYSA-N
XLogP3.49
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.49
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'-[2-(dimethylamino)-2-methylpropyl]-N-phenylpiperidine-1-carboximidamide
CID 111028734
3-[[anilino(piperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111072594
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111032085
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
CID 111034583
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111032173
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 111057213
N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111059786
propan-2-yl 3-[[anilino(piperidin-1-yl)methylidene]amino]propanoate
CID 111037118
3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide
CID 111071160
N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111806060
N-[2-[[anilino(piperidin-1-yl)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide
CID 111061692

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide?
The IUPAC name of N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide (CID 111089079) is N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide is CCC(O)(CC)C/N=C(/Nc1ccccc1)N1CCCCC1.
What is the InChIKey of N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide?
The InChIKey is BZPZENYTCOICLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-18(22,4-2)15-19-17(21-13-9-6-10-14-21)20-16-11-7-5-8-12-16/h5,7-8,11-12,22H,3-4,6,9-10,13-15H2,1-2H3,(H,19,20).
What are the key properties of N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide?
N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide has a molecular weight of 303.45 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide is sourced from PubChem (CID 111089079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).