1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine

C13H28N4O2 — CID 111991889

IUPAC1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine
SMILESCCN/C(=N\CCO)NC1CCN(CCOC)CC1
InChIInChI=1S/C13H28N4O2/c1-3-14-13(15-6-10-18)16-12-4-7-17(8-5-12)9-11-19-2/h12,18H,3-11H2,1-2H3,(H2,14,15,16)
InChIKeyCJVLIMJRECIHMP-UHFFFAOYSA-N
MW272.39 g/mol
LogP-0.36
Rot. Bonds7

About 1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine

1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine (PubChem CID 111991889) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine
PubChem CID111991889
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC Name1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine
SMILESCCN/C(=N\CCO)NC1CCN(CCOC)CC1
InChIInChI=1S/C13H28N4O2/c1-3-14-13(15-6-10-18)16-12-4-7-17(8-5-12)9-11-19-2/h12,18H,3-11H2,1-2H3,(H2,14,15,16)
InChIKeyCJVLIMJRECIHMP-UHFFFAOYSA-N
XLogP-0.36
TPSA69.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 5-0.36
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-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018414
1-ethyl-2-(2-hydroxy-3-phenylpropyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine
CID 111993761
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine
CID 111991887
N-[2-[[ethylamino-[[1-(3-methoxypropyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111993642
2-(2-butoxyethyl)-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019880
1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine
CID 111993469
1-ethyl-2-[(1-hydroxycyclopentyl)methyl]-3-[1-(3-methoxypropyl)piperidin-4-yl]guanidine
CID 111993689
2-[4-[[N-ethyl-N'-(2-hydroxyethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide
CID 111990760
1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110989253
1-cyclopropyl-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110989230
1-ethyl-2-(3-methylbutyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 111018419
2-[[[[1-(2-methoxyethyl)piperidin-4-yl]amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110040197

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine?
The IUPAC name of 1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine (CID 111991889) is 1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine.
What is the SMILES notation for 1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine?
The canonical SMILES for 1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine is CCN/C(=N\CCO)NC1CCN(CCOC)CC1.
What is the InChIKey of 1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine?
The InChIKey is CJVLIMJRECIHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2/c1-3-14-13(15-6-10-18)16-12-4-7-17(8-5-12)9-11-19-2/h12,18H,3-11H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine?
1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine has a molecular weight of 272.39 g/mol, XLogP of -0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine is sourced from PubChem (CID 111991889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).