1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine

C14H30N2O2 — CID 55248399

IUPAC1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine
SMILESCCOC(CN1CCN(CC(C)C)CC1)OCC
InChIInChI=1S/C14H30N2O2/c1-5-17-14(18-6-2)12-16-9-7-15(8-10-16)11-13(3)4/h13-14H,5-12H2,1-4H3
InChIKeyVGXYXWMGVFQJCR-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.66
Rot. Bonds8

About 1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine

1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine (PubChem CID 55248399) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine
PubChem CID55248399
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine
SMILESCCOC(CN1CCN(CC(C)C)CC1)OCC
InChIInChI=1S/C14H30N2O2/c1-5-17-14(18-6-2)12-16-9-7-15(8-10-16)11-13(3)4/h13-14H,5-12H2,1-4H3
InChIKeyVGXYXWMGVFQJCR-UHFFFAOYSA-N
XLogP1.66
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine 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-cyclopropyl-4-(2,2-diethoxyethyl)piperazine
CID 63619023
4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide
CID 63619012
1-(2,2-diethoxyethyl)-4-ethyl-4-methylpiperidine
CID 63619222
1-(2,2-diethoxyethyl)-4-propylpiperidine
CID 63617165
methyl 3-[4-(2,2-diethoxyethyl)piperazin-1-yl]propanoate
CID 115537138
1-(2,2-diethoxyethyl)piperidine-4-carbonitrile
CID 75507355
1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
1-(2,2-diethoxyethyl)-4-methylazepan-4-ol
CID 107405290
[4-(2-methylpropyl)piperazin-1-yl]methanol
CID 58575664
1-ethyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine
CID 165044772
1-(cyclopropylmethyl)-4-(2-methylpropyl)piperazine
CID 59603480
1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane
CID 118545612

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine (CID 55248399) is 1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine is CCOC(CN1CCN(CC(C)C)CC1)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine?
The InChIKey is VGXYXWMGVFQJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-5-17-14(18-6-2)12-16-9-7-15(8-10-16)11-13(3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of 1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine?
1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine has a molecular weight of 258.41 g/mol, XLogP of 1.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 55248399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).