1-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide

C23H39IN4O2 — CID 109406243

IUPAC1-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCOCc1ccccc1OC)NC1CCN(C2CCCCC2)CC1.I
InChIInChI=1S/C23H38N4O2.HI/c1-24-23(25-14-17-29-18-19-8-6-7-11-22(19)28-2)26-20-12-15-27(16-13-20)21-9-4-3-5-10-21;/h6-8,11,20-21H,3-5,9-10,12-18H2,1-2H3,(H2,24,25,26);1H
InChIKeyUJJNANWUFSXRPB-UHFFFAOYSA-N
MW530.50 g/mol
LogP3.79
Rot. Bonds8

About 1-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide

1-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide (PubChem CID 109406243) has the molecular formula C23H39IN4O2 and a molecular weight of 530.50 g/mol. Its IUPAC name is 1-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide
PubChem CID109406243
Molecular FormulaC23H39IN4O2
Molecular Weight530.50 g/mol
Exact Mass530.21
IUPAC Name1-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCOCc1ccccc1OC)NC1CCN(C2CCCCC2)CC1.I
InChIInChI=1S/C23H38N4O2.HI/c1-24-23(25-14-17-29-18-19-8-6-7-11-22(19)28-2)26-20-12-15-27(16-13-20)21-9-4-3-5-10-21;/h6-8,11,20-21H,3-5,9-10,12-18H2,1-2H3,(H2,24,25,26);1H
InChIKeyUJJNANWUFSXRPB-UHFFFAOYSA-N
XLogP3.79
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.50
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-cyclohexyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide
CID 109400680
1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine;hydroiodide
CID 109405050
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine
CID 109404887
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine
CID 109404905
1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111978527
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(4-phenylmethoxybutyl)guanidine
CID 111920103
1-cyclopentyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine
CID 109400891
1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine
CID 119161874
1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111918550
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-pentylguanidine;hydroiodide
CID 109401108
1-tert-butyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine
CID 109400727
N-[2-[(2-methoxyphenyl)methoxy]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 109401264

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide (CID 109406243) is 1-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide is C/N=C(\NCCOCc1ccccc1OC)NC1CCN(C2CCCCC2)CC1.I.
What is the InChIKey of 1-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide?
The InChIKey is UJJNANWUFSXRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O2.HI/c1-24-23(25-14-17-29-18-19-8-6-7-11-22(19)28-2)26-20-12-15-27(16-13-20)21-9-4-3-5-10-21;/h6-8,11,20-21H,3-5,9-10,12-18H2,1-2H3,(H2,24,25,26);1H.
What are the key properties of 1-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide?
1-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide has a molecular weight of 530.50 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 109406243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).