N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

C16H34IN3O2 — CID 111210256

IUPACN-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(O)COCC(C)C)N1CCC(C)CC1.I
InChIInChI=1S/C16H33N3O2.HI/c1-5-17-16(19-8-6-14(4)7-9-19)18-10-15(20)12-21-11-13(2)3;/h13-15,20H,5-12H2,1-4H3,(H,17,18);1H
InChIKeyWRPQDPUKLQVDTN-UHFFFAOYSA-N
MW427.37 g/mol
LogP2.34
Rot. Bonds7

About N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111210256) has the molecular formula C16H34IN3O2 and a molecular weight of 427.37 g/mol. Its IUPAC name is N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111210256
Molecular FormulaC16H34IN3O2
Molecular Weight427.37 g/mol
Exact Mass427.17
IUPAC NameN-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(O)COCC(C)C)N1CCC(C)CC1.I
InChIInChI=1S/C16H33N3O2.HI/c1-5-17-16(19-8-6-14(4)7-9-19)18-10-15(20)12-21-11-13(2)3;/h13-15,20H,5-12H2,1-4H3,(H,17,18);1H
InChIKeyWRPQDPUKLQVDTN-UHFFFAOYSA-N
XLogP2.34
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.37
LogP ≤ 52.34
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide
CID 111154732
N-ethyl-4-methyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111211328
4-ethoxy-N-ethyl-N'-[3-(2-methylpropoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111959036
N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide
CID 111211579
4-acetyl-N-ethyl-N'-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 110962738
1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017960
N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479493
N-ethyl-4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
CID 111983930
(3R)-N-ethyl-3-hydroxy-N'-[2-(2-methylpropoxy)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111549797
N-ethyl-4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111210828
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-hydroxy-3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111260924
1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125934

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (CID 111210256) is N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(O)COCC(C)C)N1CCC(C)CC1.I.
What is the InChIKey of N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is WRPQDPUKLQVDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2.HI/c1-5-17-16(19-8-6-14(4)7-9-19)18-10-15(20)12-21-11-13(2)3;/h13-15,20H,5-12H2,1-4H3,(H,17,18);1H.
What are the key properties of N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 427.37 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111210256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).