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

C13H26N2O2 — CID 63619023

IUPAC1-cyclopropyl-4-(2,2-diethoxyethyl)piperazine
SMILESCCOC(CN1CCN(C2CC2)CC1)OCC
InChIInChI=1S/C13H26N2O2/c1-3-16-13(17-4-2)11-14-7-9-15(10-8-14)12-5-6-12/h12-13H,3-11H2,1-2H3
InChIKeyFIXGRZLNAIKDBT-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.17
Rot. Bonds7

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

1-cyclopropyl-4-(2,2-diethoxyethyl)piperazine (PubChem CID 63619023) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-cyclopropyl-4-(2,2-diethoxyethyl)piperazine.

Molecular Properties

Compound Name1-cyclopropyl-4-(2,2-diethoxyethyl)piperazine
PubChem CID63619023
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-cyclopropyl-4-(2,2-diethoxyethyl)piperazine
SMILESCCOC(CN1CCN(C2CC2)CC1)OCC
InChIInChI=1S/C13H26N2O2/c1-3-16-13(17-4-2)11-14-7-9-15(10-8-14)12-5-6-12/h12-13H,3-11H2,1-2H3
InChIKeyFIXGRZLNAIKDBT-UHFFFAOYSA-N
XLogP1.17
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine
CID 55248399
1-cyclopentyl-4-(3,3-diethoxypropyl)piperazine
CID 63629128
3-(2,2-diethoxyethyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79175351
1-(2,2-diethoxyethyl)-4-propylpiperidine
CID 63617165
4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide
CID 63619012
1-(2,2-diethoxyethyl)piperidine-4-carbonitrile
CID 75507355
2-(3,3-diethoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943736
2-(3,3-diethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79934926
ethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate
CID 55068243
2-[1-(2,2-diethoxyethyl)piperidin-4-yl]acetamide
CID 55249753
1-ethyl-4-[4-(2-methylpropoxy)cyclohexyl]piperazine
CID 171508679
1-(2,2-diethoxyethyl)-4-ethyl-4-methylpiperidine
CID 63619222

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(2,2-diethoxyethyl)piperazine?
The IUPAC name of 1-cyclopropyl-4-(2,2-diethoxyethyl)piperazine (CID 63619023) is 1-cyclopropyl-4-(2,2-diethoxyethyl)piperazine.
What is the SMILES notation for 1-cyclopropyl-4-(2,2-diethoxyethyl)piperazine?
The canonical SMILES for 1-cyclopropyl-4-(2,2-diethoxyethyl)piperazine is CCOC(CN1CCN(C2CC2)CC1)OCC.
What is the InChIKey of 1-cyclopropyl-4-(2,2-diethoxyethyl)piperazine?
The InChIKey is FIXGRZLNAIKDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-16-13(17-4-2)11-14-7-9-15(10-8-14)12-5-6-12/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-(2,2-diethoxyethyl)piperazine?
1-cyclopropyl-4-(2,2-diethoxyethyl)piperazine has a molecular weight of 242.36 g/mol, XLogP of 1.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(2,2-diethoxyethyl)piperazine is sourced from PubChem (CID 63619023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).