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

C15H32N4O — CID 110943576

IUPAC1-butan-2-yl-3-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CCCN1CCC(O)CC1)NC(C)CC
InChIInChI=1S/C15H32N4O/c1-4-13(3)18-15(16-5-2)17-9-6-10-19-11-7-14(20)8-12-19/h13-14,20H,4-12H2,1-3H3,(H2,16,17,18)
InChIKeyFGGXDMGEESZAMJ-UHFFFAOYSA-N
MW284.45 g/mol
LogP1.19
Rot. Bonds7

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

1-butan-2-yl-3-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine (PubChem CID 110943576) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-butan-2-yl-3-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-butan-2-yl-3-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine
PubChem CID110943576
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name1-butan-2-yl-3-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CCCN1CCC(O)CC1)NC(C)CC
InChIInChI=1S/C15H32N4O/c1-4-13(3)18-15(16-5-2)17-9-6-10-19-11-7-14(20)8-12-19/h13-14,20H,4-12H2,1-3H3,(H2,16,17,18)
InChIKeyFGGXDMGEESZAMJ-UHFFFAOYSA-N
XLogP1.19
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 51.19
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-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(1-phenylethyl)guanidine
CID 110948166
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-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110943569
1-butan-2-yl-3-ethyl-2-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine;hydroiodide
CID 110944473
1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(7-methyloctyl)guanidine;hydroiodide
CID 111204685
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 110999775
1-butan-2-yl-3-ethyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110945459
1-ethyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine
CID 111382400
1-[4-[[ethylamino-(octan-2-ylamino)methylidene]amino]butyl]piperidine-4-carboxamide
CID 111212381
1-butan-2-yl-3-ethyl-2-[2-(3-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 110943565
1-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]-3-(5-methylhexan-2-yl)guanidine;hydroiodide
CID 111204169
1-ethyl-2-(3-morpholin-4-ylpropyl)-3-octan-2-ylguanidine;hydroiodide
CID 111212512

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-butan-2-yl-3-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine (CID 110943576) is 1-butan-2-yl-3-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-butan-2-yl-3-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-butan-2-yl-3-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine is CCN/C(=N\CCCN1CCC(O)CC1)NC(C)CC.
What is the InChIKey of 1-butan-2-yl-3-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine?
The InChIKey is FGGXDMGEESZAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-4-13(3)18-15(16-5-2)17-9-6-10-19-11-7-14(20)8-12-19/h13-14,20H,4-12H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-butan-2-yl-3-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine?
1-butan-2-yl-3-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine has a molecular weight of 284.45 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 110943576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).