ethane;1-[[1-(2-ethoxyethyl)piperidin-4-yl]methyl]piperazine

C16H35N3O — CID 142389461

IUPACethane;1-[[1-(2-ethoxyethyl)piperidin-4-yl]methyl]piperazine
SMILESCC.CCOCCN1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C14H29N3O.C2H6/c1-2-18-12-11-16-7-3-14(4-8-16)13-17-9-5-15-6-10-17;1-2/h14-15H,2-13H2,1H3;1-2H3
InChIKeyPEXHHFDEMFNCAS-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.67
Rot. Bonds6

About ethane;1-[[1-(2-ethoxyethyl)piperidin-4-yl]methyl]piperazine

ethane;1-[[1-(2-ethoxyethyl)piperidin-4-yl]methyl]piperazine (PubChem CID 142389461) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is ethane;1-[[1-(2-ethoxyethyl)piperidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Nameethane;1-[[1-(2-ethoxyethyl)piperidin-4-yl]methyl]piperazine
PubChem CID142389461
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Nameethane;1-[[1-(2-ethoxyethyl)piperidin-4-yl]methyl]piperazine
SMILESCC.CCOCCN1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C14H29N3O.C2H6/c1-2-18-12-11-16-7-3-14(4-8-16)13-17-9-5-15-6-10-17;1-2/h14-15H,2-13H2,1H3;1-2H3
InChIKeyPEXHHFDEMFNCAS-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-[[1-(2-ethoxyethyl)piperidin-4-yl]methyl]piperazine?
The IUPAC name of ethane;1-[[1-(2-ethoxyethyl)piperidin-4-yl]methyl]piperazine (CID 142389461) is ethane;1-[[1-(2-ethoxyethyl)piperidin-4-yl]methyl]piperazine.
What is the SMILES notation for ethane;1-[[1-(2-ethoxyethyl)piperidin-4-yl]methyl]piperazine?
The canonical SMILES for ethane;1-[[1-(2-ethoxyethyl)piperidin-4-yl]methyl]piperazine is CC.CCOCCN1CCC(CN2CCNCC2)CC1.
What is the InChIKey of ethane;1-[[1-(2-ethoxyethyl)piperidin-4-yl]methyl]piperazine?
The InChIKey is PEXHHFDEMFNCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O.C2H6/c1-2-18-12-11-16-7-3-14(4-8-16)13-17-9-5-15-6-10-17;1-2/h14-15H,2-13H2,1H3;1-2H3.
What are the key properties of ethane;1-[[1-(2-ethoxyethyl)piperidin-4-yl]methyl]piperazine?
ethane;1-[[1-(2-ethoxyethyl)piperidin-4-yl]methyl]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-[[1-(2-ethoxyethyl)piperidin-4-yl]methyl]piperazine is sourced from PubChem (CID 142389461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).