[1-[3-[(5-chloro-2-pyridinyl)oxy]propyl]piperidine-4-carbonyl]-diethylazanium chloride

C18H29Cl2N3O2 — CID 110175711

IUPAC[1-[3-[(5-chloro-2-pyridinyl)oxy]propyl]piperidine-4-carbonyl]-diethylazanium chloride
SMILESCC[NH+](CC)C(=O)C1CCN(CCCOc2ccc(Cl)cn2)CC1.[Cl-]
InChIInChI=1S/C18H28ClN3O2.ClH/c1-3-22(4-2)18(23)15-8-11-21(12-9-15)10-5-13-24-17-7-6-16(19)14-20-17;/h6-7,14-15H,3-5,8-13H2,1-2H3;1H
InChIKeyLLGWIHVARQPFIA-UHFFFAOYSA-N
MW390.36 g/mol
LogP-1.33
Rot. Bonds8

About [1-[3-[(5-chloro-2-pyridinyl)oxy]propyl]piperidine-4-carbonyl]-diethylazanium chloride

[1-[3-[(5-chloro-2-pyridinyl)oxy]propyl]piperidine-4-carbonyl]-diethylazanium chloride (PubChem CID 110175711) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is [1-[3-[(5-chloro-2-pyridinyl)oxy]propyl]piperidine-4-carbonyl]-diethylazanium chloride.

Molecular Properties

Compound Name[1-[3-[(5-chloro-2-pyridinyl)oxy]propyl]piperidine-4-carbonyl]-diethylazanium chloride
PubChem CID110175711
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC Name[1-[3-[(5-chloro-2-pyridinyl)oxy]propyl]piperidine-4-carbonyl]-diethylazanium chloride
SMILESCC[NH+](CC)C(=O)C1CCN(CCCOc2ccc(Cl)cn2)CC1.[Cl-]
InChIInChI=1S/C18H28ClN3O2.ClH/c1-3-22(4-2)18(23)15-8-11-21(12-9-15)10-5-13-24-17-7-6-16(19)14-20-17;/h6-7,14-15H,3-5,8-13H2,1-2H3;1H
InChIKeyLLGWIHVARQPFIA-UHFFFAOYSA-N
XLogP-1.33
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-[3-[(5-chloro-2-pyridinyl)oxy]propyl]piperidine-4-carbonyl]-diethylazanium chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[3-[(5-chloro-2-pyridinyl)oxy]propyl]piperidine-4-carbonyl]-diethylazanium chloride?
The IUPAC name of [1-[3-[(5-chloro-2-pyridinyl)oxy]propyl]piperidine-4-carbonyl]-diethylazanium chloride (CID 110175711) is [1-[3-[(5-chloro-2-pyridinyl)oxy]propyl]piperidine-4-carbonyl]-diethylazanium chloride.
What is the SMILES notation for [1-[3-[(5-chloro-2-pyridinyl)oxy]propyl]piperidine-4-carbonyl]-diethylazanium chloride?
The canonical SMILES for [1-[3-[(5-chloro-2-pyridinyl)oxy]propyl]piperidine-4-carbonyl]-diethylazanium chloride is CC[NH+](CC)C(=O)C1CCN(CCCOc2ccc(Cl)cn2)CC1.[Cl-].
What is the InChIKey of [1-[3-[(5-chloro-2-pyridinyl)oxy]propyl]piperidine-4-carbonyl]-diethylazanium chloride?
The InChIKey is LLGWIHVARQPFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O2.ClH/c1-3-22(4-2)18(23)15-8-11-21(12-9-15)10-5-13-24-17-7-6-16(19)14-20-17;/h6-7,14-15H,3-5,8-13H2,1-2H3;1H.
What are the key properties of [1-[3-[(5-chloro-2-pyridinyl)oxy]propyl]piperidine-4-carbonyl]-diethylazanium chloride?
[1-[3-[(5-chloro-2-pyridinyl)oxy]propyl]piperidine-4-carbonyl]-diethylazanium chloride has a molecular weight of 390.36 g/mol, XLogP of -1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(5-chloro-2-pyridinyl)oxy]propyl]piperidine-4-carbonyl]-diethylazanium chloride is sourced from PubChem (CID 110175711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).