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

C15H32N4 — CID 111060073

IUPAC1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
SMILESCCN(CC)/C(N)=N/CCCCN1CCCCC1C
InChIInChI=1S/C15H32N4/c1-4-18(5-2)15(16)17-11-7-9-13-19-12-8-6-10-14(19)3/h14H,4-13H2,1-3H3,(H2,16,17)
InChIKeyDXZSYFGXAYLXTL-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.30
Rot. Bonds7

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

1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine (PubChem CID 111060073) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine.

Molecular Properties

Compound Name1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
PubChem CID111060073
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
SMILESCCN(CC)/C(N)=N/CCCCN1CCCCC1C
InChIInChI=1S/C15H32N4/c1-4-18(5-2)15(16)17-11-7-9-13-19-12-8-6-10-14(19)3/h14H,4-13H2,1-3H3,(H2,16,17)
InChIKeyDXZSYFGXAYLXTL-UHFFFAOYSA-N
XLogP2.30
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
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'}

Analyze 1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111060130
1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111059667
1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111059666
1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060069
1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060057
N'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide
CID 111060059
1,1-diethyl-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111047114
2-[4-(2-methylpiperidin-1-yl)butyl]-1-phenylguanidine;hydroiodide
CID 110915715
1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
CID 111060060
1-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111032905
N'-hydroxy-5-(2-methylpiperidin-1-yl)pentanimidamide
CID 109374519
N,N-diethyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
CID 43179739

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine?
The IUPAC name of 1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine (CID 111060073) is 1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine.
What is the SMILES notation for 1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine?
The canonical SMILES for 1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine is CCN(CC)/C(N)=N/CCCCN1CCCCC1C.
What is the InChIKey of 1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine?
The InChIKey is DXZSYFGXAYLXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-4-18(5-2)15(16)17-11-7-9-13-19-12-8-6-10-14(19)3/h14H,4-13H2,1-3H3,(H2,16,17).
What are the key properties of 1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine?
1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine has a molecular weight of 268.45 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine is sourced from PubChem (CID 111060073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).