N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide

C22H37IN6O — CID 111221590

IUPACN'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC1(N2CCOCC2)CCCCC1)N1CCN(c2ccccn2)CC1.I
InChIInChI=1S/C22H36N6O.HI/c1-23-21(27-13-11-26(12-14-27)20-7-3-6-10-24-20)25-19-22(8-4-2-5-9-22)28-15-17-29-18-16-28;/h3,6-7,10H,2,4-5,8-9,11-19H2,1H3,(H,23,25);1H
InChIKeyVHPQQEQECLBNCO-UHFFFAOYSA-N
MW528.48 g/mol
LogP2.43
Rot. Bonds4

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

N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 111221590) has the molecular formula C22H37IN6O and a molecular weight of 528.48 g/mol. Its IUPAC name is N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
PubChem CID111221590
Molecular FormulaC22H37IN6O
Molecular Weight528.48 g/mol
Exact Mass528.21
IUPAC NameN'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC1(N2CCOCC2)CCCCC1)N1CCN(c2ccccn2)CC1.I
InChIInChI=1S/C22H36N6O.HI/c1-23-21(27-13-11-26(12-14-27)20-7-3-6-10-24-20)25-19-22(8-4-2-5-9-22)28-15-17-29-18-16-28;/h3,6-7,10H,2,4-5,8-9,11-19H2,1H3,(H,23,25);1H
InChIKeyVHPQQEQECLBNCO-UHFFFAOYSA-N
XLogP2.43
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.48
LogP ≤ 52.43
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'}

Analyze N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide with MolForge

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Related Compounds

N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221102
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-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221646
N'-methyl-N-(2-methylsulfanylethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221596
2-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111004365
N-methyl-2-[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 119130899
N'-methyl-N-[(2-methylphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219180
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221324
N-[(5-bromothiophen-2-yl)methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219608
N'-methyl-4-pyridin-2-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111219776
N'-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111221687

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide (CID 111221590) is N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide is C/N=C(/NCC1(N2CCOCC2)CCCCC1)N1CCN(c2ccccn2)CC1.I.
What is the InChIKey of N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is VHPQQEQECLBNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N6O.HI/c1-23-21(27-13-11-26(12-14-27)20-7-3-6-10-24-20)25-19-22(8-4-2-5-9-22)28-15-17-29-18-16-28;/h3,6-7,10H,2,4-5,8-9,11-19H2,1H3,(H,23,25);1H.
What are the key properties of N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 528.48 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111221590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).