N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide

C21H37IN6O — CID 111221102

IUPACN'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(CC(C)C)N1CCOCC1)N1CCN(c2ccccn2)CC1.I
InChIInChI=1S/C21H36N6O.HI/c1-18(2)16-19(25-12-14-28-15-13-25)17-24-21(22-3)27-10-8-26(9-11-27)20-6-4-5-7-23-20;/h4-7,18-19H,8-17H2,1-3H3,(H,22,24);1H
InChIKeyLTTFMHDOCPKTRP-UHFFFAOYSA-N
MW516.47 g/mol
LogP2.14
Rot. Bonds6

About N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide

N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 111221102) has the molecular formula C21H37IN6O and a molecular weight of 516.47 g/mol. Its IUPAC name is N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
PubChem CID111221102
Molecular FormulaC21H37IN6O
Molecular Weight516.47 g/mol
Exact Mass516.21
IUPAC NameN'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(CC(C)C)N1CCOCC1)N1CCN(c2ccccn2)CC1.I
InChIInChI=1S/C21H36N6O.HI/c1-18(2)16-19(25-12-14-28-15-13-25)17-24-21(22-3)27-10-8-26(9-11-27)20-6-4-5-7-23-20;/h4-7,18-19H,8-17H2,1-3H3,(H,22,24);1H
InChIKeyLTTFMHDOCPKTRP-UHFFFAOYSA-N
XLogP2.14
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-methyl-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221646
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221324
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219158
N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221590
N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207894
N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962068
N'-methyl-N-(2-methylsulfanylethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221596
N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219018
N'-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219356
N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2,3-dihydroindole-1-carboximidamide
CID 110985146
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220361
N'-methyl-N-(2-methyl-3-phenylmethoxypropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219036

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide (CID 111221102) is N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide is C/N=C(\NCC(CC(C)C)N1CCOCC1)N1CCN(c2ccccn2)CC1.I.
What is the InChIKey of N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is LTTFMHDOCPKTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6O.HI/c1-18(2)16-19(25-12-14-28-15-13-25)17-24-21(22-3)27-10-8-26(9-11-27)20-6-4-5-7-23-20;/h4-7,18-19H,8-17H2,1-3H3,(H,22,24);1H.
What are the key properties of N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 516.47 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111221102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).