2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine

C22H31N5O — CID 111054383

IUPAC2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESCOc1ccccc1C(C/N=C(\N)NCCc1ccccn1)N1CCCCC1
InChIInChI=1S/C22H31N5O/c1-28-21-11-4-3-10-19(21)20(27-15-7-2-8-16-27)17-26-22(23)25-14-12-18-9-5-6-13-24-18/h3-6,9-11,13,20H,2,7-8,12,14-17H2,1H3,(H3,23,25,26)
InChIKeyFJNONISWTCNGHK-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.76
Rot. Bonds8

About 2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine

2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111054383) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine
PubChem CID111054383
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESCOc1ccccc1C(C/N=C(\N)NCCc1ccccn1)N1CCCCC1
InChIInChI=1S/C22H31N5O/c1-28-21-11-4-3-10-19(21)20(27-15-7-2-8-16-27)17-26-22(23)25-14-12-18-9-5-6-13-24-18/h3-6,9-11,13,20H,2,7-8,12,14-17H2,1H3,(H3,23,25,26)
InChIKeyFJNONISWTCNGHK-UHFFFAOYSA-N
XLogP2.76
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194557
1-ethyl-2-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111029037
1-(cyclobutylmethyl)-2-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111029013
1-tert-butyl-2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 111054364
2-(2-methyl-3-piperidin-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111074682
1-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111028977
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296
1-(4-methoxyphenyl)-2-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111028961
2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111028097
2-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111088393
2-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111580915
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111029765

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine (CID 111054383) is 2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine is COc1ccccc1C(C/N=C(\N)NCCc1ccccn1)N1CCCCC1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is FJNONISWTCNGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-28-21-11-4-3-10-19(21)20(27-15-7-2-8-16-27)17-26-22(23)25-14-12-18-9-5-6-13-24-18/h3-6,9-11,13,20H,2,7-8,12,14-17H2,1H3,(H3,23,25,26).
What are the key properties of 2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine?
2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 381.52 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111054383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).