1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine

C24H32N4O2 — CID 111597584

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine
SMILESCOc1ccc(C(C/N=C(\N)NC2CCOc3ccccc32)N2CCCCC2)cc1
InChIInChI=1S/C24H32N4O2/c1-29-19-11-9-18(10-12-19)22(28-14-5-2-6-15-28)17-26-24(25)27-21-13-16-30-23-8-4-3-7-20(21)23/h3-4,7-12,21-22H,2,5-6,13-17H2,1H3,(H3,25,26,27)
InChIKeyYOYZGJNKRVAZRU-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.65
Rot. Bonds6

About 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine

1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine (PubChem CID 111597584) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine
PubChem CID111597584
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine
SMILESCOc1ccc(C(C/N=C(\N)NC2CCOc3ccccc32)N2CCCCC2)cc1
InChIInChI=1S/C24H32N4O2/c1-29-19-11-9-18(10-12-19)22(28-14-5-2-6-15-28)17-26-24(25)27-21-13-16-30-23-8-4-3-7-20(21)23/h3-4,7-12,21-22H,2,5-6,13-17H2,1H3,(H3,25,26,27)
InChIKeyYOYZGJNKRVAZRU-UHFFFAOYSA-N
XLogP3.65
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.65
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-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111597665
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111597591
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 119140768
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111599669
1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111598615
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-fluorophenoxy)propyl]guanidine
CID 111820274
1-cyclopropyl-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylguanidine;hydroiodide
CID 110029451
1-[2-(4-methoxyphenyl)ethyl]-2-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine
CID 52500269
1-tert-butyl-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111027151
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111598659
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]guanidine;hydroiodide
CID 111599561
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]guanidine
CID 111600284

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine (CID 111597584) is 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine is COc1ccc(C(C/N=C(\N)NC2CCOc3ccccc32)N2CCCCC2)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine?
The InChIKey is YOYZGJNKRVAZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-29-19-11-9-18(10-12-19)22(28-14-5-2-6-15-28)17-26-24(25)27-21-13-16-30-23-8-4-3-7-20(21)23/h3-4,7-12,21-22H,2,5-6,13-17H2,1H3,(H3,25,26,27).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine?
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine has a molecular weight of 408.55 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine is sourced from PubChem (CID 111597584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).