1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine

C19H34N4OS — CID 111654224

IUPAC1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCCCC1)NCC(C)(O)c1ccsc1
InChIInChI=1S/C19H34N4OS/c1-5-20-17(22-15-19(4,24)16-9-12-25-13-16)21-14-18(2,3)23-10-7-6-8-11-23/h9,12-13,24H,5-8,10-11,14-15H2,1-4H3,(H2,20,21,22)
InChIKeyDUWQLPXLHPLIAT-UHFFFAOYSA-N
MW366.58 g/mol
LogP2.78
Rot. Bonds7

About 1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine

1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine (PubChem CID 111654224) has the molecular formula C19H34N4OS and a molecular weight of 366.58 g/mol. Its IUPAC name is 1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
PubChem CID111654224
Molecular FormulaC19H34N4OS
Molecular Weight366.58 g/mol
Exact Mass366.25
IUPAC Name1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCCCC1)NCC(C)(O)c1ccsc1
InChIInChI=1S/C19H34N4OS/c1-5-20-17(22-15-19(4,24)16-9-12-25-13-16)21-14-18(2,3)23-10-7-6-8-11-23/h9,12-13,24H,5-8,10-11,14-15H2,1-4H3,(H2,20,21,22)
InChIKeyDUWQLPXLHPLIAT-UHFFFAOYSA-N
XLogP2.78
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.58
LogP ≤ 52.78
H-Bond Donors ≤ 53
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-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111655111
1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111654285
1-ethyl-2-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine
CID 111655240
1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-[[3-(piperidine-1-carbonyl)phenyl]methyl]guanidine
CID 111653768
1-ethyl-3-(2-methoxy-2-methylpropyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111606095
N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]acetamide
CID 111654054
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methylpropyl)guanidine
CID 111179212
1-(cyclopropylmethyl)-3-ethyl-2-(2-hydroxy-2-thiophen-3-ylpropyl)guanidine
CID 111653750
1-ethyl-2-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropyl)guanidine
CID 111653840
1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine;hydroiodide
CID 111654151
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-prop-2-ynylguanidine
CID 111321466
1-[2-[cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(2-hydroxy-2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111653901

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine (CID 111654224) is 1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine is CCN/C(=N\CC(C)(C)N1CCCCC1)NCC(C)(O)c1ccsc1.
What is the InChIKey of 1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The InChIKey is DUWQLPXLHPLIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4OS/c1-5-20-17(22-15-19(4,24)16-9-12-25-13-16)21-14-18(2,3)23-10-7-6-8-11-23/h9,12-13,24H,5-8,10-11,14-15H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine has a molecular weight of 366.58 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine is sourced from PubChem (CID 111654224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).