2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]ethyloxidanium

C12H28N3O+ — CID 143677744

IUPAC2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]ethyloxidanium
SMILESCCN(CC)CCN1CCN(CC[OH2+])CC1
InChIInChI=1S/C12H27N3O/c1-3-13(4-2)5-6-14-7-9-15(10-8-14)11-12-16/h16H,3-12H2,1-2H3/p+1
InChIKeyCZDUCJNVZYIBOW-UHFFFAOYSA-O
MW230.38 g/mol
LogP-0.33
Rot. Bonds7

About 2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]ethyloxidanium

2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]ethyloxidanium (PubChem CID 143677744) has the molecular formula C12H28N3O+ and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]ethyloxidanium.

Molecular Properties

Compound Name2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]ethyloxidanium
PubChem CID143677744
Molecular FormulaC12H28N3O+
Molecular Weight230.38 g/mol
Exact Mass230.22
IUPAC Name2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]ethyloxidanium
SMILESCCN(CC)CCN1CCN(CC[OH2+])CC1
InChIInChI=1S/C12H27N3O/c1-3-13(4-2)5-6-14-7-9-15(10-8-14)11-12-16/h16H,3-12H2,1-2H3/p+1
InChIKeyCZDUCJNVZYIBOW-UHFFFAOYSA-O
XLogP-0.33
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-piperidin-1-ylethanamine;ethane
CID 176694882
[1-[2-(diethylamino)ethyl]piperidin-4-yl]methanol
CID 62020074
1-[2-(diethylamino)ethyl]piperidine-4-carbaldehyde
CID 62654444
N'-ethyl-2-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]propane-1,3-diamine
CID 82889621
N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine
CID 123857151
1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone
CID 63846150
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
N-ethyl-N'-[2-[ethyl-[2-(4-ethylpiperazin-1-yl)ethyl]amino]ethyl]ethane-1,2-diamine
CID 70821539
(3R)-1-[2-(diethylamino)ethyl]pyrrolidin-3-ol
CID 115277606
N',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine
CID 91574752
N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994465
N-[1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethyl]propan-1-amine
CID 55258766

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]ethyloxidanium?
The IUPAC name of 2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]ethyloxidanium (CID 143677744) is 2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]ethyloxidanium.
What is the SMILES notation for 2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]ethyloxidanium?
The canonical SMILES for 2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]ethyloxidanium is CCN(CC)CCN1CCN(CC[OH2+])CC1.
What is the InChIKey of 2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]ethyloxidanium?
The InChIKey is CZDUCJNVZYIBOW-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H27N3O/c1-3-13(4-2)5-6-14-7-9-15(10-8-14)11-12-16/h16H,3-12H2,1-2H3/p+1.
What are the key properties of 2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]ethyloxidanium?
2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]ethyloxidanium has a molecular weight of 230.38 g/mol, XLogP of -0.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]ethyloxidanium is sourced from PubChem (CID 143677744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).