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

C22H37N3O2 — CID 109427211

IUPACN'-(2,2-diethyl-4-hydroxybutyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
SMILESCCN/C(=N\CC(CC)(CC)CCO)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C22H37N3O2/c1-4-22(5-2,14-17-26)18-24-21(23-6-3)25-15-12-20(13-16-25)27-19-10-8-7-9-11-19/h7-11,20,26H,4-6,12-18H2,1-3H3,(H,23,24)
InChIKeyVEJMSCCMYUTDFJ-UHFFFAOYSA-N
MW375.56 g/mol
LogP3.68
Rot. Bonds9

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

N'-(2,2-diethyl-4-hydroxybutyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide (PubChem CID 109427211) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is N'-(2,2-diethyl-4-hydroxybutyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2,2-diethyl-4-hydroxybutyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
PubChem CID109427211
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC NameN'-(2,2-diethyl-4-hydroxybutyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
SMILESCCN/C(=N\CC(CC)(CC)CCO)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C22H37N3O2/c1-4-22(5-2,14-17-26)18-24-21(23-6-3)25-15-12-20(13-16-25)27-19-10-8-7-9-11-19/h7-11,20,26H,4-6,12-18H2,1-3H3,(H,23,24)
InChIKeyVEJMSCCMYUTDFJ-UHFFFAOYSA-N
XLogP3.68
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
CID 109426874
N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426107
N'-[3-(dimethylamino)propyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427920
N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426561
N'-[7-(dimethylamino)heptyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427634
N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427283
N-[2-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109426489
N-ethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427576
N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide
CID 109427617
N-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109426968
N-ethyl-N'-[2-(2-methoxyphenyl)propyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425735
N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425771

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-diethyl-4-hydroxybutyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide?
The IUPAC name of N'-(2,2-diethyl-4-hydroxybutyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide (CID 109427211) is N'-(2,2-diethyl-4-hydroxybutyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide.
What is the SMILES notation for N'-(2,2-diethyl-4-hydroxybutyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide?
The canonical SMILES for N'-(2,2-diethyl-4-hydroxybutyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide is CCN/C(=N\CC(CC)(CC)CCO)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N'-(2,2-diethyl-4-hydroxybutyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide?
The InChIKey is VEJMSCCMYUTDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-4-22(5-2,14-17-26)18-24-21(23-6-3)25-15-12-20(13-16-25)27-19-10-8-7-9-11-19/h7-11,20,26H,4-6,12-18H2,1-3H3,(H,23,24).
What are the key properties of N'-(2,2-diethyl-4-hydroxybutyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide?
N'-(2,2-diethyl-4-hydroxybutyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide has a molecular weight of 375.56 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-diethyl-4-hydroxybutyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide is sourced from PubChem (CID 109427211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).