1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-methoxypropyl)-2-methylguanidine

C15H32N4O — CID 111779329

IUPAC1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-methoxypropyl)-2-methylguanidine
SMILESCCN1CCC(CCN/C(=N/C)NCCCOC)CC1
InChIInChI=1S/C15H32N4O/c1-4-19-11-7-14(8-12-19)6-10-18-15(16-2)17-9-5-13-20-3/h14H,4-13H2,1-3H3,(H2,16,17,18)
InChIKeyVTLVWQZPPHHLNB-UHFFFAOYSA-N
MW284.45 g/mol
LogP1.31
Rot. Bonds8

About 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-methoxypropyl)-2-methylguanidine

1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-methoxypropyl)-2-methylguanidine (PubChem CID 111779329) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-methoxypropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-methoxypropyl)-2-methylguanidine
PubChem CID111779329
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-methoxypropyl)-2-methylguanidine
SMILESCCN1CCC(CCN/C(=N/C)NCCCOC)CC1
InChIInChI=1S/C15H32N4O/c1-4-19-11-7-14(8-12-19)6-10-18-15(16-2)17-9-5-13-20-3/h14H,4-13H2,1-3H3,(H2,16,17,18)
InChIKeyVTLVWQZPPHHLNB-UHFFFAOYSA-N
XLogP1.31
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 51.31
H-Bond Donors ≤ 52
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-[2-(1-ethylpiperidin-4-yl)ethyl]-3-hexyl-2-methylguanidine;hydroiodide
CID 111781367
1-[(1-ethylpiperidin-3-yl)methyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110973911
1-amino-2-[(1-ethylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)guanidine
CID 104885128
1-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methyl-3-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111783758
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine;hydroiodide
CID 109462047
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110941569
1-[3-(2-methoxyethoxy)propyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 111789681
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111782570
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylguanidine
CID 111392187
1-benzyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111779132
1-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methyl-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111786266
N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 119885076

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-methoxypropyl)-2-methylguanidine?
The IUPAC name of 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-methoxypropyl)-2-methylguanidine (CID 111779329) is 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-methoxypropyl)-2-methylguanidine.
What is the SMILES notation for 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-methoxypropyl)-2-methylguanidine?
The canonical SMILES for 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-methoxypropyl)-2-methylguanidine is CCN1CCC(CCN/C(=N/C)NCCCOC)CC1.
What is the InChIKey of 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-methoxypropyl)-2-methylguanidine?
The InChIKey is VTLVWQZPPHHLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-4-19-11-7-14(8-12-19)6-10-18-15(16-2)17-9-5-13-20-3/h14H,4-13H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-methoxypropyl)-2-methylguanidine?
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-methoxypropyl)-2-methylguanidine has a molecular weight of 284.45 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-methoxypropyl)-2-methylguanidine is sourced from PubChem (CID 111779329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).