2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine

C15H26N4S — CID 75420963

IUPAC2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine
SMILESC/N=C(/NCCN1CCCCC1)NC(C)c1cccs1
InChIInChI=1S/C15H26N4S/c1-13(14-7-6-12-20-14)18-15(16-2)17-8-11-19-9-4-3-5-10-19/h6-7,12-13H,3-5,8-11H2,1-2H3,(H2,16,17,18)
InChIKeyDMSIBPQBIDLZKZ-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.46
Rot. Bonds5

About 2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine

2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine (PubChem CID 75420963) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine
PubChem CID75420963
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine
SMILESC/N=C(/NCCN1CCCCC1)NC(C)c1cccs1
InChIInChI=1S/C15H26N4S/c1-13(14-7-6-12-20-14)18-15(16-2)17-8-11-19-9-4-3-5-10-19/h6-7,12-13H,3-5,8-11H2,1-2H3,(H2,16,17,18)
InChIKeyDMSIBPQBIDLZKZ-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
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'}

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Related Compounds

2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide
CID 75420962
2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111798457
1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine
CID 111501079
1-[2-(azepan-1-yl)ethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111000762
1-[2-(methanesulfonamido)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine
CID 111331024
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111516314
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111984578
2-methyl-N-(2-piperidin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
CID 60697417
1-[2-(2-oxoazepan-1-yl)ethyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 94161198
2-methyl-1-(1-phenylethyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 110949367
2-methyl-1-(5-methylhexan-2-yl)-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111204089
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111028228

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine?
The IUPAC name of 2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine (CID 75420963) is 2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine is C/N=C(/NCCN1CCCCC1)NC(C)c1cccs1.
What is the InChIKey of 2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine?
The InChIKey is DMSIBPQBIDLZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-13(14-7-6-12-20-14)18-15(16-2)17-8-11-19-9-4-3-5-10-19/h6-7,12-13H,3-5,8-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine?
2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine has a molecular weight of 294.47 g/mol, XLogP of 2.46, 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-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 75420963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).