1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine

C15H32N4 — CID 111060231

IUPAC1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine
SMILESCCCCN/C(N)=N/CCCCN1CCCC(C)C1
InChIInChI=1S/C15H32N4/c1-3-4-9-17-15(16)18-10-5-6-11-19-12-7-8-14(2)13-19/h14H,3-13H2,1-2H3,(H3,16,17,18)
InChIKeyGBUOAUIDJHZDPR-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.20
Rot. Bonds8

About 1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine

1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine (PubChem CID 111060231) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine.

Molecular Properties

Compound Name1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine
PubChem CID111060231
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine
SMILESCCCCN/C(N)=N/CCCCN1CCCC(C)C1
InChIInChI=1S/C15H32N4/c1-3-4-9-17-15(16)18-10-5-6-11-19-12-7-8-14(2)13-19/h14H,3-13H2,1-2H3,(H3,16,17,18)
InChIKeyGBUOAUIDJHZDPR-UHFFFAOYSA-N
XLogP2.20
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine
CID 22500452
2-[3-(3-methylpiperidin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056935
1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide
CID 111809695
1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111056854
1-butyl-3-ethyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111151127
2-hexyl-1-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111059756
3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111060279
1-butyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine
CID 111057070
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
CID 111060442
1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111056913
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-propylguanidine
CID 111057510
2-butyl-1-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
CID 111056663

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine?
The IUPAC name of 1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine (CID 111060231) is 1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine.
What is the SMILES notation for 1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine?
The canonical SMILES for 1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine is CCCCN/C(N)=N/CCCCN1CCCC(C)C1.
What is the InChIKey of 1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine?
The InChIKey is GBUOAUIDJHZDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-3-4-9-17-15(16)18-10-5-6-11-19-12-7-8-14(2)13-19/h14H,3-13H2,1-2H3,(H3,16,17,18).
What are the key properties of 1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine?
1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine has a molecular weight of 268.45 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine is sourced from PubChem (CID 111060231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).