(2S,5S)-2,5-dibenzyl-1,4-dimethylpiperazine

C20H26N2 — CID 14831650

IUPAC(2S,5S)-2,5-dibenzyl-1,4-dimethylpiperazine
SMILESCN1C[C@H](Cc2ccccc2)N(C)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H26N2/c1-21-15-20(14-18-11-7-4-8-12-18)22(2)16-19(21)13-17-9-5-3-6-10-17/h3-12,19-20H,13-16H2,1-2H3/t19-,20-/m0/s1
InChIKeyHGCOAWJFJGNIBD-PMACEKPBSA-N
MW294.44 g/mol
LogP3.09
Rot. Bonds4

About (2S,5S)-2,5-dibenzyl-1,4-dimethylpiperazine

(2S,5S)-2,5-dibenzyl-1,4-dimethylpiperazine (PubChem CID 14831650) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (2S,5S)-2,5-dibenzyl-1,4-dimethylpiperazine.

Molecular Properties

Compound Name(2S,5S)-2,5-dibenzyl-1,4-dimethylpiperazine
PubChem CID14831650
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name(2S,5S)-2,5-dibenzyl-1,4-dimethylpiperazine
SMILESCN1C[C@H](Cc2ccccc2)N(C)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H26N2/c1-21-15-20(14-18-11-7-4-8-12-18)22(2)16-19(21)13-17-9-5-3-6-10-17/h3-12,19-20H,13-16H2,1-2H3/t19-,20-/m0/s1
InChIKeyHGCOAWJFJGNIBD-PMACEKPBSA-N
XLogP3.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-dibenzyl-1,4-dimethylpiperazine?
The IUPAC name of (2S,5S)-2,5-dibenzyl-1,4-dimethylpiperazine (CID 14831650) is (2S,5S)-2,5-dibenzyl-1,4-dimethylpiperazine.
What is the SMILES notation for (2S,5S)-2,5-dibenzyl-1,4-dimethylpiperazine?
The canonical SMILES for (2S,5S)-2,5-dibenzyl-1,4-dimethylpiperazine is CN1C[C@H](Cc2ccccc2)N(C)C[C@@H]1Cc1ccccc1.
What is the InChIKey of (2S,5S)-2,5-dibenzyl-1,4-dimethylpiperazine?
The InChIKey is HGCOAWJFJGNIBD-PMACEKPBSA-N. The full InChI is InChI=1S/C20H26N2/c1-21-15-20(14-18-11-7-4-8-12-18)22(2)16-19(21)13-17-9-5-3-6-10-17/h3-12,19-20H,13-16H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of (2S,5S)-2,5-dibenzyl-1,4-dimethylpiperazine?
(2S,5S)-2,5-dibenzyl-1,4-dimethylpiperazine has a molecular weight of 294.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-dibenzyl-1,4-dimethylpiperazine is sourced from PubChem (CID 14831650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).