2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide

C18H31IN4 — CID 110948157

IUPAC2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
SMILESC/N=C(/NCCN1CCCCC1C)NC(C)c1ccccc1.I
InChIInChI=1S/C18H30N4.HI/c1-15-9-7-8-13-22(15)14-12-20-18(19-3)21-16(2)17-10-5-4-6-11-17;/h4-6,10-11,15-16H,7-9,12-14H2,1-3H3,(H2,19,20,21);1H
InChIKeySTAJRZJHKYKGHY-UHFFFAOYSA-N
MW430.38 g/mol
LogP3.40
Rot. Bonds5

About 2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide

2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide (PubChem CID 110948157) has the molecular formula C18H31IN4 and a molecular weight of 430.38 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
PubChem CID110948157
Molecular FormulaC18H31IN4
Molecular Weight430.38 g/mol
Exact Mass430.16
IUPAC Name2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
SMILESC/N=C(/NCCN1CCCCC1C)NC(C)c1ccccc1.I
InChIInChI=1S/C18H30N4.HI/c1-15-9-7-8-13-22(15)14-12-20-18(19-3)21-16(2)17-10-5-4-6-11-17;/h4-6,10-11,15-16H,7-9,12-14H2,1-3H3,(H2,19,20,21);1H
InChIKeySTAJRZJHKYKGHY-UHFFFAOYSA-N
XLogP3.40
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-methyl-1-[4-(2-methylpiperidin-1-yl)butyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135998
1-benzyl-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 110952785
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111340304
2-cyclopentyl-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 110949235
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111355769
1-cyclohexyl-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 110957289
1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine
CID 110948758
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950065
2-methyl-1-(1-phenylethyl)-3-propylguanidine
CID 110949022
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111396124
1-[(4-fluorophenyl)methyl]-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111232729
1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545832

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide (CID 110948157) is 2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide is C/N=C(/NCCN1CCCCC1C)NC(C)c1ccccc1.I.
What is the InChIKey of 2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide?
The InChIKey is STAJRZJHKYKGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4.HI/c1-15-9-7-8-13-22(15)14-12-20-18(19-3)21-16(2)17-10-5-4-6-11-17;/h4-6,10-11,15-16H,7-9,12-14H2,1-3H3,(H2,19,20,21);1H.
What are the key properties of 2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide?
2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide has a molecular weight of 430.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110948157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).