ethane;1-(2-ethoxyethyl)-4-(piperidin-4-ylmethyl)piperazine

C16H35N3O — CID 142390270

IUPACethane;1-(2-ethoxyethyl)-4-(piperidin-4-ylmethyl)piperazine
SMILESCC.CCOCCN1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C14H29N3O.C2H6/c1-2-18-12-11-16-7-9-17(10-8-16)13-14-3-5-15-6-4-14;1-2/h14-15H,2-13H2,1H3;1-2H3
InChIKeyXLLMLJQTHZMQGA-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.67
Rot. Bonds6

About ethane;1-(2-ethoxyethyl)-4-(piperidin-4-ylmethyl)piperazine

ethane;1-(2-ethoxyethyl)-4-(piperidin-4-ylmethyl)piperazine (PubChem CID 142390270) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is ethane;1-(2-ethoxyethyl)-4-(piperidin-4-ylmethyl)piperazine.

Molecular Properties

Compound Nameethane;1-(2-ethoxyethyl)-4-(piperidin-4-ylmethyl)piperazine
PubChem CID142390270
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Nameethane;1-(2-ethoxyethyl)-4-(piperidin-4-ylmethyl)piperazine
SMILESCC.CCOCCN1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C14H29N3O.C2H6/c1-2-18-12-11-16-7-9-17(10-8-16)13-14-3-5-15-6-4-14;1-2/h14-15H,2-13H2,1H3;1-2H3
InChIKeyXLLMLJQTHZMQGA-UHFFFAOYSA-N
XLogP1.67
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-ethoxyethyl)-4-(piperidin-4-ylmethyl)piperazine?
The IUPAC name of ethane;1-(2-ethoxyethyl)-4-(piperidin-4-ylmethyl)piperazine (CID 142390270) is ethane;1-(2-ethoxyethyl)-4-(piperidin-4-ylmethyl)piperazine.
What is the SMILES notation for ethane;1-(2-ethoxyethyl)-4-(piperidin-4-ylmethyl)piperazine?
The canonical SMILES for ethane;1-(2-ethoxyethyl)-4-(piperidin-4-ylmethyl)piperazine is CC.CCOCCN1CCN(CC2CCNCC2)CC1.
What is the InChIKey of ethane;1-(2-ethoxyethyl)-4-(piperidin-4-ylmethyl)piperazine?
The InChIKey is XLLMLJQTHZMQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O.C2H6/c1-2-18-12-11-16-7-9-17(10-8-16)13-14-3-5-15-6-4-14;1-2/h14-15H,2-13H2,1H3;1-2H3.
What are the key properties of ethane;1-(2-ethoxyethyl)-4-(piperidin-4-ylmethyl)piperazine?
ethane;1-(2-ethoxyethyl)-4-(piperidin-4-ylmethyl)piperazine has a molecular weight of 285.48 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-ethoxyethyl)-4-(piperidin-4-ylmethyl)piperazine is sourced from PubChem (CID 142390270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).