1-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]piperazine

C24H48N2 — CID 70596987

IUPAC1-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]piperazine
SMILESCC(=CCN1CCNCC1)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C24H48N2/c1-21(2)9-6-10-22(3)11-7-12-23(4)13-8-14-24(5)15-18-26-19-16-25-17-20-26/h15,21-23,25H,6-14,16-20H2,1-5H3/t22-,23-/m1/s1
InChIKeyRFIOHNFNKURRAZ-DHIUTWEWSA-N
MW364.66 g/mol
LogP6.28
Rot. Bonds14

About 1-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]piperazine

1-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]piperazine (PubChem CID 70596987) has the molecular formula C24H48N2 and a molecular weight of 364.66 g/mol. Its IUPAC name is 1-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]piperazine
PubChem CID70596987
Molecular FormulaC24H48N2
Molecular Weight364.66 g/mol
Exact Mass364.38
IUPAC Name1-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]piperazine
SMILESCC(=CCN1CCNCC1)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C24H48N2/c1-21(2)9-6-10-22(3)11-7-12-23(4)13-8-14-24(5)15-18-26-19-16-25-17-20-26/h15,21-23,25H,6-14,16-20H2,1-5H3/t22-,23-/m1/s1
InChIKeyRFIOHNFNKURRAZ-DHIUTWEWSA-N
XLogP6.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]piperazine?
The IUPAC name of 1-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]piperazine (CID 70596987) is 1-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]piperazine.
What is the SMILES notation for 1-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]piperazine?
The canonical SMILES for 1-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]piperazine is CC(=CCN1CCNCC1)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of 1-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]piperazine?
The InChIKey is RFIOHNFNKURRAZ-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H48N2/c1-21(2)9-6-10-22(3)11-7-12-23(4)13-8-14-24(5)15-18-26-19-16-25-17-20-26/h15,21-23,25H,6-14,16-20H2,1-5H3/t22-,23-/m1/s1.
What are the key properties of 1-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]piperazine?
1-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]piperazine has a molecular weight of 364.66 g/mol, XLogP of 6.28, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]piperazine is sourced from PubChem (CID 70596987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).