2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine

C15H26N4S — CID 111258655

IUPAC2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine
SMILESC/N=C(/NCCN1CCC(C)CC1)NCc1cccs1
InChIInChI=1S/C15H26N4S/c1-13-5-8-19(9-6-13)10-7-17-15(16-2)18-12-14-4-3-11-20-14/h3-4,11,13H,5-10,12H2,1-2H3,(H2,16,17,18)
InChIKeyHSCUMBIYQLGJKA-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.14
Rot. Bonds5

About 2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine

2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine (PubChem CID 111258655) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine
PubChem CID111258655
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine
SMILESC/N=C(/NCCN1CCC(C)CC1)NCc1cccs1
InChIInChI=1S/C15H26N4S/c1-13-5-8-19(9-6-13)10-7-17-15(16-2)18-12-14-4-3-11-20-14/h3-4,11,13H,5-10,12H2,1-2H3,(H2,16,17,18)
InChIKeyHSCUMBIYQLGJKA-UHFFFAOYSA-N
XLogP2.14
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)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

1-ethyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111257259
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111259349
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111257937
2-methyl-1-(1-propylpiperidin-4-yl)-3-(thiophen-2-ylmethyl)guanidine
CID 111018071
2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940994
2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284148
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111258542
1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111265638
2-methyl-1-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111047091
2-methyl-1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111257685
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111029089
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine
CID 111386534

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine?
The IUPAC name of 2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine (CID 111258655) is 2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine?
The canonical SMILES for 2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine is C/N=C(/NCCN1CCC(C)CC1)NCc1cccs1.
What is the InChIKey of 2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine?
The InChIKey is HSCUMBIYQLGJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-13-5-8-19(9-6-13)10-7-17-15(16-2)18-12-14-4-3-11-20-14/h3-4,11,13H,5-10,12H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine?
2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine has a molecular weight of 294.47 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine is sourced from PubChem (CID 111258655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).