1-[(5R)-5-methoxy-9,9-dimethyldecyl]-4-methylpiperazine

C18H38N2O — CID 118887718

IUPAC1-[(5R)-5-methoxy-9,9-dimethyldecyl]-4-methylpiperazine
SMILESCO[C@@H](CCCCN1CCN(C)CC1)CCCC(C)(C)C
InChIInChI=1S/C18H38N2O/c1-18(2,3)11-8-10-17(21-5)9-6-7-12-20-15-13-19(4)14-16-20/h17H,6-16H2,1-5H3/t17-/m0/s1
InChIKeyAGWULOWBPMTHID-KRWDZBQOSA-N
MW298.51 g/mol
LogP3.64
Rot. Bonds9

About 1-[(5R)-5-methoxy-9,9-dimethyldecyl]-4-methylpiperazine

1-[(5R)-5-methoxy-9,9-dimethyldecyl]-4-methylpiperazine (PubChem CID 118887718) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-[(5R)-5-methoxy-9,9-dimethyldecyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(5R)-5-methoxy-9,9-dimethyldecyl]-4-methylpiperazine
PubChem CID118887718
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name1-[(5R)-5-methoxy-9,9-dimethyldecyl]-4-methylpiperazine
SMILESCO[C@@H](CCCCN1CCN(C)CC1)CCCC(C)(C)C
InChIInChI=1S/C18H38N2O/c1-18(2,3)11-8-10-17(21-5)9-6-7-12-20-15-13-19(4)14-16-20/h17H,6-16H2,1-5H3/t17-/m0/s1
InChIKeyAGWULOWBPMTHID-KRWDZBQOSA-N
XLogP3.64
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.64
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-[(4S)-4-methoxy-8,8-dimethylnonyl]-4-methylpiperazine
CID 118887650
1-[(6R)-6-methoxy-10,10-dimethylundecyl]piperazine
CID 118887793
1-ethyl-4-[(4S)-4-methoxy-8,8-dimethylnonyl]piperazine
CID 118887652
(6R)-6-methoxy-2,2,12-trimethyltridecane
CID 118887775
(4S)-4-methoxy-8,8-dimethylnonan-1-ol
CID 118887633
(3S)-3-(2,2-dimethylpropyl)-8-(4-methylpiperazin-1-yl)octan-1-ol
CID 118887623
1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane
CID 145236948
4-(5-methoxyoctyl)morpholine
CID 144712043
2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 65256580
1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine
CID 118890200
4-[(6R)-6-methoxydecyl]thiomorpholine
CID 118890209
(4S)-9-(4-methylpiperazin-1-yl)nonan-4-ol
CID 144712129

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-5-methoxy-9,9-dimethyldecyl]-4-methylpiperazine?
The IUPAC name of 1-[(5R)-5-methoxy-9,9-dimethyldecyl]-4-methylpiperazine (CID 118887718) is 1-[(5R)-5-methoxy-9,9-dimethyldecyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(5R)-5-methoxy-9,9-dimethyldecyl]-4-methylpiperazine?
The canonical SMILES for 1-[(5R)-5-methoxy-9,9-dimethyldecyl]-4-methylpiperazine is CO[C@@H](CCCCN1CCN(C)CC1)CCCC(C)(C)C.
What is the InChIKey of 1-[(5R)-5-methoxy-9,9-dimethyldecyl]-4-methylpiperazine?
The InChIKey is AGWULOWBPMTHID-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H38N2O/c1-18(2,3)11-8-10-17(21-5)9-6-7-12-20-15-13-19(4)14-16-20/h17H,6-16H2,1-5H3/t17-/m0/s1.
What are the key properties of 1-[(5R)-5-methoxy-9,9-dimethyldecyl]-4-methylpiperazine?
1-[(5R)-5-methoxy-9,9-dimethyldecyl]-4-methylpiperazine has a molecular weight of 298.51 g/mol, XLogP of 3.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-5-methoxy-9,9-dimethyldecyl]-4-methylpiperazine is sourced from PubChem (CID 118887718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).