(2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine

C16H26N2 — CID 170657864

IUPAC(2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine
SMILESCc1cc(C)c(N2C[C@@H](C)N(C)[C@@H](C)C2)c(C)c1
InChIInChI=1S/C16H26N2/c1-11-7-12(2)16(13(3)8-11)18-9-14(4)17(6)15(5)10-18/h7-8,14-15H,9-10H2,1-6H3/t14-,15+
InChIKeyJJLRREFUVARHAS-GASCZTMLSA-N
MW246.40 g/mol
LogP3.14
Rot. Bonds1

About (2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine

(2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine (PubChem CID 170657864) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine.

Molecular Properties

Compound Name(2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine
PubChem CID170657864
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine
SMILESCc1cc(C)c(N2C[C@@H](C)N(C)[C@@H](C)C2)c(C)c1
InChIInChI=1S/C16H26N2/c1-11-7-12(2)16(13(3)8-11)18-9-14(4)17(6)15(5)10-18/h7-8,14-15H,9-10H2,1-6H3/t14-,15+
InChIKeyJJLRREFUVARHAS-GASCZTMLSA-N
XLogP3.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine?
The IUPAC name of (2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine (CID 170657864) is (2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine.
What is the SMILES notation for (2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine?
The canonical SMILES for (2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine is Cc1cc(C)c(N2C[C@@H](C)N(C)[C@@H](C)C2)c(C)c1.
What is the InChIKey of (2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine?
The InChIKey is JJLRREFUVARHAS-GASCZTMLSA-N. The full InChI is InChI=1S/C16H26N2/c1-11-7-12(2)16(13(3)8-11)18-9-14(4)17(6)15(5)10-18/h7-8,14-15H,9-10H2,1-6H3/t14-,15+.
What are the key properties of (2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine?
(2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine has a molecular weight of 246.40 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine is sourced from PubChem (CID 170657864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).