1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine

C16H33N5O — CID 111056854

IUPAC1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCC1CCCN(CCN/C(N)=N/CCCN2CCOCC2)C1
InChIInChI=1S/C16H33N5O/c1-15-4-2-7-21(14-15)9-6-19-16(17)18-5-3-8-20-10-12-22-13-11-20/h15H,2-14H2,1H3,(H3,17,18,19)
InChIKeyIWSWNIVVFXAHRE-UHFFFAOYSA-N
MW311.47 g/mol
LogP0.34
Rot. Bonds7

About 1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine

1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 111056854) has the molecular formula C16H33N5O and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
PubChem CID111056854
Molecular FormulaC16H33N5O
Molecular Weight311.47 g/mol
Exact Mass311.27
IUPAC Name1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCC1CCCN(CCN/C(N)=N/CCCN2CCOCC2)C1
InChIInChI=1S/C16H33N5O/c1-15-4-2-7-21(14-15)9-6-19-16(17)18-5-3-8-20-10-12-22-13-11-20/h15H,2-14H2,1H3,(H3,17,18,19)
InChIKeyIWSWNIVVFXAHRE-UHFFFAOYSA-N
XLogP0.34
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[3-(3-methylpiperidin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056935
1-[2-(4-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056682
1-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine
CID 111060231
1-[2-(3-methylcyclohexyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111558248
1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188128
1,2-bis(2-morpholin-4-ylethyl)guanidine
CID 141003386
1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111054905
N'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide
CID 111056830
1-(3-cyclopentylpropyl)-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111062761
2-(3-morpholin-4-ylpropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine
CID 111041853
1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111804104

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine (CID 111056854) is 1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine is CC1CCCN(CCN/C(N)=N/CCCN2CCOCC2)C1.
What is the InChIKey of 1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is IWSWNIVVFXAHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5O/c1-15-4-2-7-21(14-15)9-6-19-16(17)18-5-3-8-20-10-12-22-13-11-20/h15H,2-14H2,1H3,(H3,17,18,19).
What are the key properties of 1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 311.47 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111056854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).