1-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine

C20H40N4O2 — CID 111648552

IUPAC1-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
SMILESCCN/C(=N\CC(C)N1CCC(C)CC1)NCCCOCC1CCOC1
InChIInChI=1S/C20H40N4O2/c1-4-21-20(22-9-5-12-25-15-19-8-13-26-16-19)23-14-18(3)24-10-6-17(2)7-11-24/h17-19H,4-16H2,1-3H3,(H2,21,22,23)
InChIKeyDNLLQKRZRRMSDG-UHFFFAOYSA-N
MW368.57 g/mol
LogP2.11
Rot. Bonds10

About 1-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine

1-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine (PubChem CID 111648552) has the molecular formula C20H40N4O2 and a molecular weight of 368.57 g/mol. Its IUPAC name is 1-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
PubChem CID111648552
Molecular FormulaC20H40N4O2
Molecular Weight368.57 g/mol
Exact Mass368.32
IUPAC Name1-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
SMILESCCN/C(=N\CC(C)N1CCC(C)CC1)NCCCOCC1CCOC1
InChIInChI=1S/C20H40N4O2/c1-4-21-20(22-9-5-12-25-15-19-8-13-26-16-19)23-14-18(3)24-10-6-17(2)7-11-24/h17-19H,4-16H2,1-3H3,(H2,21,22,23)
InChIKeyDNLLQKRZRRMSDG-UHFFFAOYSA-N
XLogP2.11
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 52.11
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

1-ethyl-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111648507
1-butyl-3-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111149681
1-[2-(cyclopropylmethoxy)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111760388
2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111646748
1-ethyl-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111645237
1-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111646390
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-ethyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111642667
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111648509
2-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-ethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111647407
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111647288
1-ethyl-2-(2-ethylbutyl)-3-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111988326
1-ethyl-3-[3-(oxolan-3-ylmethoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111645811

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine (CID 111648552) is 1-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine is CCN/C(=N\CC(C)N1CCC(C)CC1)NCCCOCC1CCOC1.
What is the InChIKey of 1-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine?
The InChIKey is DNLLQKRZRRMSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O2/c1-4-21-20(22-9-5-12-25-15-19-8-13-26-16-19)23-14-18(3)24-10-6-17(2)7-11-24/h17-19H,4-16H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine?
1-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine has a molecular weight of 368.57 g/mol, XLogP of 2.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine is sourced from PubChem (CID 111648552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).