2-[2-[3-(dimethylamino)piperidin-1-yl]ethoxy]propanimidamide

C12H26N4O — CID 114266433

IUPAC2-[2-[3-(dimethylamino)piperidin-1-yl]ethoxy]propanimidamide
SMILES[H]/N=C(\N)C(C)OCCN1CCCC(N(C)C)C1
InChIInChI=1S/C12H26N4O/c1-10(12(13)14)17-8-7-16-6-4-5-11(9-16)15(2)3/h10-11H,4-9H2,1-3H3,(H3,13,14)
InChIKeyQJQNIPWLESPHMK-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.35
Rot. Bonds6

About 2-[2-[3-(dimethylamino)piperidin-1-yl]ethoxy]propanimidamide

2-[2-[3-(dimethylamino)piperidin-1-yl]ethoxy]propanimidamide (PubChem CID 114266433) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-[2-[3-(dimethylamino)piperidin-1-yl]ethoxy]propanimidamide.

Molecular Properties

Compound Name2-[2-[3-(dimethylamino)piperidin-1-yl]ethoxy]propanimidamide
PubChem CID114266433
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name2-[2-[3-(dimethylamino)piperidin-1-yl]ethoxy]propanimidamide
SMILES[H]/N=C(\N)C(C)OCCN1CCCC(N(C)C)C1
InChIInChI=1S/C12H26N4O/c1-10(12(13)14)17-8-7-16-6-4-5-11(9-16)15(2)3/h10-11H,4-9H2,1-3H3,(H3,13,14)
InChIKeyQJQNIPWLESPHMK-UHFFFAOYSA-N
XLogP0.35
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[3-(dimethylamino)piperidin-1-yl]ethoxy]propanimidamide 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

1-(3-amino-2,2-dimethylbutyl)-N,N-dimethylpiperidin-3-amine
CID 66452822
1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63950586
2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]propanimidamide
CID 114266437
5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77109637
(3R)-1-ethyl-N,N-dimethylpiperidin-3-amine
CID 95912118
1-[2-(1,3-dioxan-2-yl)ethyl]-N,N-dimethylpiperidin-3-amine
CID 66473733
1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114448938
(3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
CID 170926263
N,N-dimethyl-1-(2-piperidin-4-ylethyl)piperidin-3-amine;dihydrochloride
CID 120663622
N'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide
CID 176547017
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-3,3,3-trifluoropropanethioamide
CID 103368761
1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine
CID 63089872

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(dimethylamino)piperidin-1-yl]ethoxy]propanimidamide?
The IUPAC name of 2-[2-[3-(dimethylamino)piperidin-1-yl]ethoxy]propanimidamide (CID 114266433) is 2-[2-[3-(dimethylamino)piperidin-1-yl]ethoxy]propanimidamide.
What is the SMILES notation for 2-[2-[3-(dimethylamino)piperidin-1-yl]ethoxy]propanimidamide?
The canonical SMILES for 2-[2-[3-(dimethylamino)piperidin-1-yl]ethoxy]propanimidamide is [H]/N=C(\N)C(C)OCCN1CCCC(N(C)C)C1.
What is the InChIKey of 2-[2-[3-(dimethylamino)piperidin-1-yl]ethoxy]propanimidamide?
The InChIKey is QJQNIPWLESPHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-10(12(13)14)17-8-7-16-6-4-5-11(9-16)15(2)3/h10-11H,4-9H2,1-3H3,(H3,13,14).
What are the key properties of 2-[2-[3-(dimethylamino)piperidin-1-yl]ethoxy]propanimidamide?
2-[2-[3-(dimethylamino)piperidin-1-yl]ethoxy]propanimidamide has a molecular weight of 242.37 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(dimethylamino)piperidin-1-yl]ethoxy]propanimidamide is sourced from PubChem (CID 114266433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).