1-[(6S)-6-(1-methoxyethenyl)nonyl]piperazine

C16H32N2O — CID 144712044

IUPAC1-[(6S)-6-(1-methoxyethenyl)nonyl]piperazine
SMILESC=C(OC)[C@@H](CCC)CCCCCN1CCNCC1
InChIInChI=1S/C16H32N2O/c1-4-8-16(15(2)19-3)9-6-5-7-12-18-13-10-17-11-14-18/h16-17H,2,4-14H2,1,3H3/t16-/m0/s1
InChIKeyBEQSQZLXCWDWSE-INIZCTEOSA-N
MW268.44 g/mol
LogP3.03
Rot. Bonds10

About 1-[(6S)-6-(1-methoxyethenyl)nonyl]piperazine

1-[(6S)-6-(1-methoxyethenyl)nonyl]piperazine (PubChem CID 144712044) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[(6S)-6-(1-methoxyethenyl)nonyl]piperazine.

Molecular Properties

Compound Name1-[(6S)-6-(1-methoxyethenyl)nonyl]piperazine
PubChem CID144712044
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[(6S)-6-(1-methoxyethenyl)nonyl]piperazine
SMILESC=C(OC)[C@@H](CCC)CCCCCN1CCNCC1
InChIInChI=1S/C16H32N2O/c1-4-8-16(15(2)19-3)9-6-5-7-12-18-13-10-17-11-14-18/h16-17H,2,4-14H2,1,3H3/t16-/m0/s1
InChIKeyBEQSQZLXCWDWSE-INIZCTEOSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-6-(1-methoxyethenyl)nonyl]piperazine?
The IUPAC name of 1-[(6S)-6-(1-methoxyethenyl)nonyl]piperazine (CID 144712044) is 1-[(6S)-6-(1-methoxyethenyl)nonyl]piperazine.
What is the SMILES notation for 1-[(6S)-6-(1-methoxyethenyl)nonyl]piperazine?
The canonical SMILES for 1-[(6S)-6-(1-methoxyethenyl)nonyl]piperazine is C=C(OC)[C@@H](CCC)CCCCCN1CCNCC1.
What is the InChIKey of 1-[(6S)-6-(1-methoxyethenyl)nonyl]piperazine?
The InChIKey is BEQSQZLXCWDWSE-INIZCTEOSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-8-16(15(2)19-3)9-6-5-7-12-18-13-10-17-11-14-18/h16-17H,2,4-14H2,1,3H3/t16-/m0/s1.
What are the key properties of 1-[(6S)-6-(1-methoxyethenyl)nonyl]piperazine?
1-[(6S)-6-(1-methoxyethenyl)nonyl]piperazine has a molecular weight of 268.44 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6-(1-methoxyethenyl)nonyl]piperazine is sourced from PubChem (CID 144712044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).