N-ethyl-N'-[(4-methylcyclohexyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide

C22H42IN3O2 — CID 109448680

IUPACN-ethyl-N'-[(4-methylcyclohexyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CCC(C)CC1)N1CCC(OCC2CCCCO2)CC1.I
InChIInChI=1S/C22H41N3O2.HI/c1-3-23-22(24-16-19-9-7-18(2)8-10-19)25-13-11-20(12-14-25)27-17-21-6-4-5-15-26-21;/h18-21H,3-17H2,1-2H3,(H,23,24);1H
InChIKeyNMUWUDKNUHWAMT-UHFFFAOYSA-N
MW507.50 g/mol
LogP4.45
Rot. Bonds6

About N-ethyl-N'-[(4-methylcyclohexyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide

N-ethyl-N'-[(4-methylcyclohexyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (PubChem CID 109448680) has the molecular formula C22H42IN3O2 and a molecular weight of 507.50 g/mol. Its IUPAC name is N-ethyl-N'-[(4-methylcyclohexyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[(4-methylcyclohexyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
PubChem CID109448680
Molecular FormulaC22H42IN3O2
Molecular Weight507.50 g/mol
Exact Mass507.23
IUPAC NameN-ethyl-N'-[(4-methylcyclohexyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CCC(C)CC1)N1CCC(OCC2CCCCO2)CC1.I
InChIInChI=1S/C22H41N3O2.HI/c1-3-23-22(24-16-19-9-7-18(2)8-10-19)25-13-11-20(12-14-25)27-17-21-6-4-5-15-26-21;/h18-21H,3-17H2,1-2H3,(H,23,24);1H
InChIKeyNMUWUDKNUHWAMT-UHFFFAOYSA-N
XLogP4.45
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448635
N-ethyl-2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 109447610
N-ethyl-N'-(2-hydroxyethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448641
N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447112
N-ethyl-N'-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448948
N'-(3-cyclopentyloxypropyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449097
N'-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449968
N-ethyl-N'-(2-methylsulfonylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447116
N'-[(1-cyclopropylcyclopropyl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447993
N-ethyl-N'-[(4-methylphenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109450326
N'-[3-(dipropylamino)propyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449459
N-ethyl-N'-(3-methylsulfanylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447554

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(4-methylcyclohexyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[(4-methylcyclohexyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (CID 109448680) is N-ethyl-N'-[(4-methylcyclohexyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[(4-methylcyclohexyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[(4-methylcyclohexyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC1CCC(C)CC1)N1CCC(OCC2CCCCO2)CC1.I.
What is the InChIKey of N-ethyl-N'-[(4-methylcyclohexyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is NMUWUDKNUHWAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N3O2.HI/c1-3-23-22(24-16-19-9-7-18(2)8-10-19)25-13-11-20(12-14-25)27-17-21-6-4-5-15-26-21;/h18-21H,3-17H2,1-2H3,(H,23,24);1H.
What are the key properties of N-ethyl-N'-[(4-methylcyclohexyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[(4-methylcyclohexyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 507.50 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(4-methylcyclohexyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109448680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).