(2S,3R)-1,4-diethyl-2,3-bis(4-methoxyphenyl)piperazine

C22H30N2O2 — CID 11013665

IUPAC(2S,3R)-1,4-diethyl-2,3-bis(4-methoxyphenyl)piperazine
SMILESCCN1CCN(CC)[C@@H](c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C22H30N2O2/c1-5-23-15-16-24(6-2)22(18-9-13-20(26-4)14-10-18)21(23)17-7-11-19(25-3)12-8-17/h7-14,21-22H,5-6,15-16H2,1-4H3/t21-,22+
InChIKeyJRZZNLZAKWRPFR-SZPZYZBQSA-N
MW354.49 g/mol
LogP4.14
Rot. Bonds6

About (2S,3R)-1,4-diethyl-2,3-bis(4-methoxyphenyl)piperazine

(2S,3R)-1,4-diethyl-2,3-bis(4-methoxyphenyl)piperazine (PubChem CID 11013665) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is (2S,3R)-1,4-diethyl-2,3-bis(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name(2S,3R)-1,4-diethyl-2,3-bis(4-methoxyphenyl)piperazine
PubChem CID11013665
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name(2S,3R)-1,4-diethyl-2,3-bis(4-methoxyphenyl)piperazine
SMILESCCN1CCN(CC)[C@@H](c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C22H30N2O2/c1-5-23-15-16-24(6-2)22(18-9-13-20(26-4)14-10-18)21(23)17-7-11-19(25-3)12-8-17/h7-14,21-22H,5-6,15-16H2,1-4H3/t21-,22+
InChIKeyJRZZNLZAKWRPFR-SZPZYZBQSA-N
XLogP4.14
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1,4-diethyl-2,3-bis(4-methoxyphenyl)piperazine?
The IUPAC name of (2S,3R)-1,4-diethyl-2,3-bis(4-methoxyphenyl)piperazine (CID 11013665) is (2S,3R)-1,4-diethyl-2,3-bis(4-methoxyphenyl)piperazine.
What is the SMILES notation for (2S,3R)-1,4-diethyl-2,3-bis(4-methoxyphenyl)piperazine?
The canonical SMILES for (2S,3R)-1,4-diethyl-2,3-bis(4-methoxyphenyl)piperazine is CCN1CCN(CC)[C@@H](c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1.
What is the InChIKey of (2S,3R)-1,4-diethyl-2,3-bis(4-methoxyphenyl)piperazine?
The InChIKey is JRZZNLZAKWRPFR-SZPZYZBQSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-5-23-15-16-24(6-2)22(18-9-13-20(26-4)14-10-18)21(23)17-7-11-19(25-3)12-8-17/h7-14,21-22H,5-6,15-16H2,1-4H3/t21-,22+.
What are the key properties of (2S,3R)-1,4-diethyl-2,3-bis(4-methoxyphenyl)piperazine?
(2S,3R)-1,4-diethyl-2,3-bis(4-methoxyphenyl)piperazine has a molecular weight of 354.49 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1,4-diethyl-2,3-bis(4-methoxyphenyl)piperazine is sourced from PubChem (CID 11013665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).