N-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide

C15H29N3O — CID 111211047

IUPACN-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCC1CCCO1)N1CCC(C)CC1
InChIInChI=1S/C15H29N3O/c1-3-16-15(18-10-7-13(2)8-11-18)17-9-6-14-5-4-12-19-14/h13-14H,3-12H2,1-2H3,(H,16,17)
InChIKeyVLMPOUBIRUSYSE-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.25
Rot. Bonds4

About N-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide

N-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide (PubChem CID 111211047) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide
PubChem CID111211047
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCC1CCCO1)N1CCC(C)CC1
InChIInChI=1S/C15H29N3O/c1-3-16-15(18-10-7-13(2)8-11-18)17-9-6-14-5-4-12-19-14/h13-14H,3-12H2,1-2H3,(H,16,17)
InChIKeyVLMPOUBIRUSYSE-UHFFFAOYSA-N
XLogP2.25
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[N-ethyl-N'-[2-(oxolan-2-yl)ethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111253652
N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide
CID 111211579
4-benzyl-N-ethyl-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide
CID 110960237
N',4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboximidamide
CID 111210675
N-ethyl-4-methyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111212028
N-ethyl-3-methyl-N'-[3-(oxolan-2-ylmethoxy)propyl]piperidine-1-carboximidamide
CID 111145640
N-ethyl-4-(2-methoxyphenyl)-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111132732
N-ethyl-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111212086
N-ethyl-N'-(2-hydroxyethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448641
N-ethyl-4-methyl-N'-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111211580
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111212030
N-ethyl-4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
CID 111983930

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide (CID 111211047) is N-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide is CCN/C(=N\CCC1CCCO1)N1CCC(C)CC1.
What is the InChIKey of N-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide?
The InChIKey is VLMPOUBIRUSYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-16-15(18-10-7-13(2)8-11-18)17-9-6-14-5-4-12-19-14/h13-14H,3-12H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide?
N-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide has a molecular weight of 267.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111211047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).