1-(1-cyclopropylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine;hydroiodide

C21H33IN4O — CID 119161827

IUPAC1-(1-cyclopropylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NC1CCN(C2CC2)CC1)NC1CC1(C)c1ccccc1OC.I
InChIInChI=1S/C21H32N4O.HI/c1-21(17-6-4-5-7-18(17)26-3)14-19(21)24-20(22-2)23-15-10-12-25(13-11-15)16-8-9-16;/h4-7,15-16,19H,8-14H2,1-3H3,(H2,22,23,24);1H
InChIKeyZKAFQEUEHQGRGS-UHFFFAOYSA-N
MW484.43 g/mol
LogP3.13
Rot. Bonds5

About 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine;hydroiodide

1-(1-cyclopropylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine;hydroiodide (PubChem CID 119161827) has the molecular formula C21H33IN4O and a molecular weight of 484.43 g/mol. Its IUPAC name is 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-cyclopropylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine;hydroiodide
PubChem CID119161827
Molecular FormulaC21H33IN4O
Molecular Weight484.43 g/mol
Exact Mass484.17
IUPAC Name1-(1-cyclopropylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NC1CCN(C2CC2)CC1)NC1CC1(C)c1ccccc1OC.I
InChIInChI=1S/C21H32N4O.HI/c1-21(17-6-4-5-7-18(17)26-3)14-19(21)24-20(22-2)23-15-10-12-25(13-11-15)16-8-9-16;/h4-7,15-16,19H,8-14H2,1-3H3,(H2,22,23,24);1H
InChIKeyZKAFQEUEHQGRGS-UHFFFAOYSA-N
XLogP3.13
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
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

1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine
CID 119161874
1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide
CID 119161993
1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine
CID 119162240
1-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide
CID 109406243
1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine
CID 119153758
1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317686
1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine;hydroiodide
CID 109405050
1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]piperidin-4-amine
CID 43791300
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
CID 119153886
1-cyclopropyl-3-(2-fluoro-2-phenylcyclopropyl)-2-methylguanidine;hydroiodide
CID 122126016
1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111760346
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine;hydroiodide
CID 111992210

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine;hydroiodide (CID 119161827) is 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine;hydroiodide is C/N=C(/NC1CCN(C2CC2)CC1)NC1CC1(C)c1ccccc1OC.I.
What is the InChIKey of 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine;hydroiodide?
The InChIKey is ZKAFQEUEHQGRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O.HI/c1-21(17-6-4-5-7-18(17)26-3)14-19(21)24-20(22-2)23-15-10-12-25(13-11-15)16-8-9-16;/h4-7,15-16,19H,8-14H2,1-3H3,(H2,22,23,24);1H.
What are the key properties of 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine;hydroiodide?
1-(1-cyclopropylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine;hydroiodide has a molecular weight of 484.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 119161827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).