ethane;4-methyl-3,6-dihydro-2H-pyran;1-methylpiperazine

C15H34N2O — CID 165409660

IUPACethane;4-methyl-3,6-dihydro-2H-pyran;1-methylpiperazine
SMILESCC.CC.CC1=CCOCC1.CN1CCNCC1
InChIInChI=1S/C6H10O.C5H12N2.2C2H6/c1-6-2-4-7-5-3-6;1-7-4-2-6-3-5-7;2*1-2/h2H,3-5H2,1H3;6H,2-5H2,1H3;2*1-2H3
InChIKeyHTJZOHRAXTZQLI-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.93
Rot. Bonds

About ethane;4-methyl-3,6-dihydro-2H-pyran;1-methylpiperazine

ethane;4-methyl-3,6-dihydro-2H-pyran;1-methylpiperazine (PubChem CID 165409660) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is ethane;4-methyl-3,6-dihydro-2H-pyran;1-methylpiperazine.

Molecular Properties

Compound Nameethane;4-methyl-3,6-dihydro-2H-pyran;1-methylpiperazine
PubChem CID165409660
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Nameethane;4-methyl-3,6-dihydro-2H-pyran;1-methylpiperazine
SMILESCC.CC.CC1=CCOCC1.CN1CCNCC1
InChIInChI=1S/C6H10O.C5H12N2.2C2H6/c1-6-2-4-7-5-3-6;1-7-4-2-6-3-5-7;2*1-2/h2H,3-5H2,1H3;6H,2-5H2,1H3;2*1-2H3
InChIKeyHTJZOHRAXTZQLI-UHFFFAOYSA-N
XLogP2.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,6-dihydro-2H-pyran-2-yl)piperazine
CID 90428556
CID 144105389
CID 144105389
1-methylpiperazine;3,4,6,7-tetrahydro-1H-isochromene
CID 144373194
(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylpiperazine
CID 103885727
(3R)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylpiperazine
CID 103885948
1-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-yl]piperazine
CID 114410999
1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperazine
CID 114411059
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 115741760
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-piperidin-1-ylethanamine
CID 115741825
N'-butyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N'-methylethane-1,2-diamine
CID 115742055
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 115742237
1-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylpiperazine
CID 115879795

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3,6-dihydro-2H-pyran;1-methylpiperazine?
The IUPAC name of ethane;4-methyl-3,6-dihydro-2H-pyran;1-methylpiperazine (CID 165409660) is ethane;4-methyl-3,6-dihydro-2H-pyran;1-methylpiperazine.
What is the SMILES notation for ethane;4-methyl-3,6-dihydro-2H-pyran;1-methylpiperazine?
The canonical SMILES for ethane;4-methyl-3,6-dihydro-2H-pyran;1-methylpiperazine is CC.CC.CC1=CCOCC1.CN1CCNCC1.
What is the InChIKey of ethane;4-methyl-3,6-dihydro-2H-pyran;1-methylpiperazine?
The InChIKey is HTJZOHRAXTZQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C5H12N2.2C2H6/c1-6-2-4-7-5-3-6;1-7-4-2-6-3-5-7;2*1-2/h2H,3-5H2,1H3;6H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;4-methyl-3,6-dihydro-2H-pyran;1-methylpiperazine?
ethane;4-methyl-3,6-dihydro-2H-pyran;1-methylpiperazine has a molecular weight of 258.45 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3,6-dihydro-2H-pyran;1-methylpiperazine is sourced from PubChem (CID 165409660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).