1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylbutyl)guanidine

C18H30N4O2 — CID 110032364

IUPAC1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylbutyl)guanidine
SMILESCOc1ccc(N/C(N)=N/CCC(C)N2CCCCC2)cc1OC
InChIInChI=1S/C18H30N4O2/c1-14(22-11-5-4-6-12-22)9-10-20-18(19)21-15-7-8-16(23-2)17(13-15)24-3/h7-8,13-14H,4-6,9-12H2,1-3H3,(H3,19,20,21)
InChIKeySUILPYFIDKUDFV-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.69
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylbutyl)guanidine

1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylbutyl)guanidine (PubChem CID 110032364) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylbutyl)guanidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylbutyl)guanidine
PubChem CID110032364
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylbutyl)guanidine
SMILESCOc1ccc(N/C(N)=N/CCC(C)N2CCCCC2)cc1OC
InChIInChI=1S/C18H30N4O2/c1-14(22-11-5-4-6-12-22)9-10-20-18(19)21-15-7-8-16(23-2)17(13-15)24-3/h7-8,13-14H,4-6,9-12H2,1-3H3,(H3,19,20,21)
InChIKeySUILPYFIDKUDFV-UHFFFAOYSA-N
XLogP2.69
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.69
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-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
CID 110032395
2-(3-piperidin-1-ylbutyl)-1-(3-propan-2-ylphenyl)guanidine
CID 110032406
1-(3,4-dimethoxyphenyl)-2-(2-pyrrolidin-1-ylbutyl)guanidine
CID 111055123
1-(3,4-dimethoxyphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111074678
1-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111027173
1-(3,4-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
CID 111057206
2-(3-cyclopentyl-3-ethoxypropyl)-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111601037
2-(2-cycloheptyloxyethyl)-1-(3,4-dimethoxyphenyl)guanidine
CID 111812561
2-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111087128
1-(3,4-dimethoxyphenyl)-2-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine;hydroiodide
CID 111091659
1-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111024092
1-(3,4-dimethoxyphenyl)-2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]guanidine
CID 111821084

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylbutyl)guanidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylbutyl)guanidine (CID 110032364) is 1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylbutyl)guanidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylbutyl)guanidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylbutyl)guanidine is COc1ccc(N/C(N)=N/CCC(C)N2CCCCC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylbutyl)guanidine?
The InChIKey is SUILPYFIDKUDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14(22-11-5-4-6-12-22)9-10-20-18(19)21-15-7-8-16(23-2)17(13-15)24-3/h7-8,13-14H,4-6,9-12H2,1-3H3,(H3,19,20,21).
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylbutyl)guanidine?
1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylbutyl)guanidine has a molecular weight of 334.46 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylbutyl)guanidine is sourced from PubChem (CID 110032364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).