N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide

C20H41IN4O — CID 109490210

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/C)NCC2CCN(CCOC)CC2)C1.I
InChIInChI=1S/C20H40N4O.HI/c1-5-9-20(2)10-6-11-24(17-20)19(21-3)22-16-18-7-12-23(13-8-18)14-15-25-4;/h18H,5-17H2,1-4H3,(H,21,22);1H
InChIKeyRGMXRPANEQHGPM-UHFFFAOYSA-N
MW480.48 g/mol
LogP3.44
Rot. Bonds7

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 109490210) has the molecular formula C20H41IN4O and a molecular weight of 480.48 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
PubChem CID109490210
Molecular FormulaC20H41IN4O
Molecular Weight480.48 g/mol
Exact Mass480.23
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/C)NCC2CCN(CCOC)CC2)C1.I
InChIInChI=1S/C20H40N4O.HI/c1-5-9-20(2)10-6-11-24(17-20)19(21-3)22-16-18-7-12-23(13-8-18)14-15-25-4;/h18H,5-17H2,1-4H3,(H,21,22);1H
InChIKeyRGMXRPANEQHGPM-UHFFFAOYSA-N
XLogP3.44
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 53.44
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',3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490865
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
1-[4-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 109490841
N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490573
N-[2-(4-acetylpiperazin-1-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490616
N',3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490397
N'-methyl-N-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745032
N',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490733
N',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide
CID 109490448
N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490096
2-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-methylthiomorpholine-4-carboximidamide
CID 109484922
2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]-N-propylacetamide
CID 109490288

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide (CID 109490210) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide is CCCC1(C)CCCN(/C(=N/C)NCC2CCN(CCOC)CC2)C1.I.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is RGMXRPANEQHGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O.HI/c1-5-9-20(2)10-6-11-24(17-20)19(21-3)22-16-18-7-12-23(13-8-18)14-15-25-4;/h18H,5-17H2,1-4H3,(H,21,22);1H.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 480.48 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109490210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).