1,4-bis(2,6-dimethylphenyl)piperazine

C20H26N2 — CID 1247098

IUPAC1,4-bis(2,6-dimethylphenyl)piperazine
SMILESCc1cccc(C)c1N1CCN(c2c(C)cccc2C)CC1
InChIInChI=1S/C20H26N2/c1-15-7-5-8-16(2)19(15)21-11-13-22(14-12-21)20-17(3)9-6-10-18(20)4/h5-10H,11-14H2,1-4H3
InChIKeyIKOCSGRSAAJWJI-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.25
Rot. Bonds2

About 1,4-bis(2,6-dimethylphenyl)piperazine

1,4-bis(2,6-dimethylphenyl)piperazine (PubChem CID 1247098) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1,4-bis(2,6-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1,4-bis(2,6-dimethylphenyl)piperazine
PubChem CID1247098
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name1,4-bis(2,6-dimethylphenyl)piperazine
SMILESCc1cccc(C)c1N1CCN(c2c(C)cccc2C)CC1
InChIInChI=1S/C20H26N2/c1-15-7-5-8-16(2)19(15)21-11-13-22(14-12-21)20-17(3)9-6-10-18(20)4/h5-10H,11-14H2,1-4H3
InChIKeyIKOCSGRSAAJWJI-UHFFFAOYSA-N
XLogP4.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2,6-dimethylphenyl)piperazine?
The IUPAC name of 1,4-bis(2,6-dimethylphenyl)piperazine (CID 1247098) is 1,4-bis(2,6-dimethylphenyl)piperazine.
What is the SMILES notation for 1,4-bis(2,6-dimethylphenyl)piperazine?
The canonical SMILES for 1,4-bis(2,6-dimethylphenyl)piperazine is Cc1cccc(C)c1N1CCN(c2c(C)cccc2C)CC1.
What is the InChIKey of 1,4-bis(2,6-dimethylphenyl)piperazine?
The InChIKey is IKOCSGRSAAJWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-15-7-5-8-16(2)19(15)21-11-13-22(14-12-21)20-17(3)9-6-10-18(20)4/h5-10H,11-14H2,1-4H3.
What are the key properties of 1,4-bis(2,6-dimethylphenyl)piperazine?
1,4-bis(2,6-dimethylphenyl)piperazine has a molecular weight of 294.44 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2,6-dimethylphenyl)piperazine is sourced from PubChem (CID 1247098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).