1-[(6S)-6-methoxy-10,10-dimethylundecyl]piperazine

C18H38N2O — CID 118887791

IUPAC1-[(6S)-6-methoxy-10,10-dimethylundecyl]piperazine
SMILESCO[C@@H](CCCCCN1CCNCC1)CCCC(C)(C)C
InChIInChI=1S/C18H38N2O/c1-18(2,3)11-8-10-17(21-4)9-6-5-7-14-20-15-12-19-13-16-20/h17,19H,5-16H2,1-4H3/t17-/m0/s1
InChIKeyUFHDGQYVQSGCIW-KRWDZBQOSA-N
MW298.51 g/mol
LogP3.68
Rot. Bonds10

About 1-[(6S)-6-methoxy-10,10-dimethylundecyl]piperazine

1-[(6S)-6-methoxy-10,10-dimethylundecyl]piperazine (PubChem CID 118887791) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-[(6S)-6-methoxy-10,10-dimethylundecyl]piperazine.

Molecular Properties

Compound Name1-[(6S)-6-methoxy-10,10-dimethylundecyl]piperazine
PubChem CID118887791
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name1-[(6S)-6-methoxy-10,10-dimethylundecyl]piperazine
SMILESCO[C@@H](CCCCCN1CCNCC1)CCCC(C)(C)C
InChIInChI=1S/C18H38N2O/c1-18(2,3)11-8-10-17(21-4)9-6-5-7-14-20-15-12-19-13-16-20/h17,19H,5-16H2,1-4H3/t17-/m0/s1
InChIKeyUFHDGQYVQSGCIW-KRWDZBQOSA-N
XLogP3.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[(6S)-6-methoxy-10,10-dimethylundecyl]piperazine?
The IUPAC name of 1-[(6S)-6-methoxy-10,10-dimethylundecyl]piperazine (CID 118887791) is 1-[(6S)-6-methoxy-10,10-dimethylundecyl]piperazine.
What is the SMILES notation for 1-[(6S)-6-methoxy-10,10-dimethylundecyl]piperazine?
The canonical SMILES for 1-[(6S)-6-methoxy-10,10-dimethylundecyl]piperazine is CO[C@@H](CCCCCN1CCNCC1)CCCC(C)(C)C.
What is the InChIKey of 1-[(6S)-6-methoxy-10,10-dimethylundecyl]piperazine?
The InChIKey is UFHDGQYVQSGCIW-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H38N2O/c1-18(2,3)11-8-10-17(21-4)9-6-5-7-14-20-15-12-19-13-16-20/h17,19H,5-16H2,1-4H3/t17-/m0/s1.
What are the key properties of 1-[(6S)-6-methoxy-10,10-dimethylundecyl]piperazine?
1-[(6S)-6-methoxy-10,10-dimethylundecyl]piperazine has a molecular weight of 298.51 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6-methoxy-10,10-dimethylundecyl]piperazine is sourced from PubChem (CID 118887791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).