N'-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide

C21H35IN4O — CID 111807931

IUPACN'-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCCN1CCC(Cc2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C21H34N4O.HI/c22-21(25-14-16-26-17-15-25)23-10-4-5-11-24-12-8-20(9-13-24)18-19-6-2-1-3-7-19;/h1-3,6-7,20H,4-5,8-18H2,(H2,22,23);1H
InChIKeyCMQKJAJEPJLFFR-UHFFFAOYSA-N
MW486.44 g/mol
LogP2.99
Rot. Bonds7

About N'-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide

N'-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111807931) has the molecular formula C21H35IN4O and a molecular weight of 486.44 g/mol. Its IUPAC name is N'-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111807931
Molecular FormulaC21H35IN4O
Molecular Weight486.44 g/mol
Exact Mass486.19
IUPAC NameN'-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCCN1CCC(Cc2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C21H34N4O.HI/c22-21(25-14-16-26-17-15-25)23-10-4-5-11-24-12-8-20(9-13-24)18-19-6-2-1-3-7-19;/h1-3,6-7,20H,4-5,8-18H2,(H2,22,23);1H
InChIKeyCMQKJAJEPJLFFR-UHFFFAOYSA-N
XLogP2.99
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide
CID 111059740
2-[4-(4-benzylpiperidin-1-yl)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111807955
4-benzyl-N-ethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111152641
N'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 56801703
N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 111060330
N'-(3-benzylsulfonylpropyl)morpholine-4-carboximidamide
CID 111065176
4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111152499
5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide
CID 76905947
2-[4-(4-benzylpiperidin-1-yl)butyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111807935
4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide
CID 110921127
1-(4-benzylpiperidin-1-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959874
N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide
CID 111816668

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide (CID 111807931) is N'-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCCCN1CCC(Cc2ccccc2)CC1)N1CCOCC1.
What is the InChIKey of N'-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is CMQKJAJEPJLFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O.HI/c22-21(25-14-16-26-17-15-25)23-10-4-5-11-24-12-8-20(9-13-24)18-19-6-2-1-3-7-19;/h1-3,6-7,20H,4-5,8-18H2,(H2,22,23);1H.
What are the key properties of N'-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide?
N'-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 486.44 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111807931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).