1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine

C17H36N2O — CID 118890154

IUPAC1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine
SMILESCCCC[C@H](CCCCCN1CCN(C)CC1)COC
InChIInChI=1S/C17H36N2O/c1-4-5-9-17(16-20-3)10-7-6-8-11-19-14-12-18(2)13-15-19/h17H,4-16H2,1-3H3/t17-/m1/s1
InChIKeyOKXMQOOTWMSAFO-QGZVFWFLSA-N
MW284.49 g/mol
LogP3.25
Rot. Bonds11

About 1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine

1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine (PubChem CID 118890154) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine
PubChem CID118890154
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine
SMILESCCCC[C@H](CCCCCN1CCN(C)CC1)COC
InChIInChI=1S/C17H36N2O/c1-4-5-9-17(16-20-3)10-7-6-8-11-19-14-12-18(2)13-15-19/h17H,4-16H2,1-3H3/t17-/m1/s1
InChIKeyOKXMQOOTWMSAFO-QGZVFWFLSA-N
XLogP3.25
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine
CID 118890200
1-methyl-4-(3-pentylnonyl)piperazine
CID 126576998
5-(methoxymethyl)decane
CID 123387036
19-(methoxymethyl)heptatriacontane
CID 59499210
4-[(6R)-6-(methoxymethyl)-9-methyldecyl]morpholine
CID 163946304
acetylene;1-methyl-4-octylpiperazine
CID 144712197
ethane;1-methyl-4-pentylpiperazine
CID 145099418
(4S)-9-(4-methylpiperazin-1-yl)nonan-4-ol
CID 144712129
1-butyl-4-(2,3-dimethoxypropyl)piperazine
CID 156812562
1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine
CID 143197605
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine?
The IUPAC name of 1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine (CID 118890154) is 1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine?
The canonical SMILES for 1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine is CCCC[C@H](CCCCCN1CCN(C)CC1)COC.
What is the InChIKey of 1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine?
The InChIKey is OKXMQOOTWMSAFO-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H36N2O/c1-4-5-9-17(16-20-3)10-7-6-8-11-19-14-12-18(2)13-15-19/h17H,4-16H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine?
1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine has a molecular weight of 284.49 g/mol, XLogP of 3.25, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine is sourced from PubChem (CID 118890154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).