1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(1-phenylethyl)guanidine

C19H32N4O — CID 110948166

IUPAC1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(1-phenylethyl)guanidine
SMILESCCN/C(=N\CCCN1CCC(O)CC1)NC(C)c1ccccc1
InChIInChI=1S/C19H32N4O/c1-3-20-19(22-16(2)17-8-5-4-6-9-17)21-12-7-13-23-14-10-18(24)11-15-23/h4-6,8-9,16,18,24H,3,7,10-15H2,1-2H3,(H2,20,21,22)
InChIKeySEHJXRFOSDJDDG-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.15
Rot. Bonds7

About 1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(1-phenylethyl)guanidine

1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(1-phenylethyl)guanidine (PubChem CID 110948166) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(1-phenylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(1-phenylethyl)guanidine
PubChem CID110948166
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(1-phenylethyl)guanidine
SMILESCCN/C(=N\CCCN1CCC(O)CC1)NC(C)c1ccccc1
InChIInChI=1S/C19H32N4O/c1-3-20-19(22-16(2)17-8-5-4-6-9-17)21-12-7-13-23-14-10-18(24)11-15-23/h4-6,8-9,16,18,24H,3,7,10-15H2,1-2H3,(H2,20,21,22)
InChIKeySEHJXRFOSDJDDG-UHFFFAOYSA-N
XLogP2.15
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

1-[1-(2-bromophenyl)ethyl]-3-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine
CID 111322154
1-butan-2-yl-3-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine
CID 110943576
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948169
1-ethyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine
CID 111382400
1-ethyl-3-(1-phenylethyl)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 110950121
2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine
CID 110948176
1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111342752
2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948175
1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(3-phenylpropyl)guanidine
CID 111199010
1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1-phenylethyl)guanidine
CID 111545653
2-(4-ethoxybutyl)-1-ethyl-3-(1-phenylethyl)guanidine
CID 110948324
1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948955

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(1-phenylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(1-phenylethyl)guanidine (CID 110948166) is 1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(1-phenylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(1-phenylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(1-phenylethyl)guanidine is CCN/C(=N\CCCN1CCC(O)CC1)NC(C)c1ccccc1.
What is the InChIKey of 1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(1-phenylethyl)guanidine?
The InChIKey is SEHJXRFOSDJDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-3-20-19(22-16(2)17-8-5-4-6-9-17)21-12-7-13-23-14-10-18(24)11-15-23/h4-6,8-9,16,18,24H,3,7,10-15H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(1-phenylethyl)guanidine?
1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(1-phenylethyl)guanidine has a molecular weight of 332.49 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(1-phenylethyl)guanidine is sourced from PubChem (CID 110948166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).