1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine

C17H32N4O2 — CID 86781171

IUPAC1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine
SMILESCCN/C(=N\CC1CCCO1)NCCC1CCN(C(C)=O)CC1
InChIInChI=1S/C17H32N4O2/c1-3-18-17(20-13-16-5-4-12-23-16)19-9-6-15-7-10-21(11-8-15)14(2)22/h15-16H,3-13H2,1-2H3,(H2,18,19,20)
InChIKeyYFSBILKWWKNJKS-UHFFFAOYSA-N
MW324.47 g/mol
LogP1.37
Rot. Bonds6

About 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine

1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine (PubChem CID 86781171) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine
PubChem CID86781171
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine
SMILESCCN/C(=N\CC1CCCO1)NCCC1CCN(C(C)=O)CC1
InChIInChI=1S/C17H32N4O2/c1-3-18-17(20-13-16-5-4-12-23-16)19-9-6-15-7-10-21(11-8-15)14(2)22/h15-16H,3-13H2,1-2H3,(H2,18,19,20)
InChIKeyYFSBILKWWKNJKS-UHFFFAOYSA-N
XLogP1.37
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine (CID 86781171) is 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine is CCN/C(=N\CC1CCCO1)NCCC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine?
The InChIKey is YFSBILKWWKNJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-3-18-17(20-13-16-5-4-12-23-16)19-9-6-15-7-10-21(11-8-15)14(2)22/h15-16H,3-13H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine?
1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine has a molecular weight of 324.47 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-acetylpiperidin-4-yl)ethyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 86781171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).