1-(3,4-dimethyl-5-phenylphenyl)piperazine

C18H22N2 — CID 20680417

IUPAC1-(3,4-dimethyl-5-phenylphenyl)piperazine
SMILESCc1cc(N2CCNCC2)cc(-c2ccccc2)c1C
InChIInChI=1S/C18H22N2/c1-14-12-17(20-10-8-19-9-11-20)13-18(15(14)2)16-6-4-3-5-7-16/h3-7,12-13,19H,8-11H2,1-2H3
InChIKeyLRKDSIIDYPJGGM-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.38
Rot. Bonds2

About 1-(3,4-dimethyl-5-phenylphenyl)piperazine

1-(3,4-dimethyl-5-phenylphenyl)piperazine (PubChem CID 20680417) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(3,4-dimethyl-5-phenylphenyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dimethyl-5-phenylphenyl)piperazine
PubChem CID20680417
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-(3,4-dimethyl-5-phenylphenyl)piperazine
SMILESCc1cc(N2CCNCC2)cc(-c2ccccc2)c1C
InChIInChI=1S/C18H22N2/c1-14-12-17(20-10-8-19-9-11-20)13-18(15(14)2)16-6-4-3-5-7-16/h3-7,12-13,19H,8-11H2,1-2H3
InChIKeyLRKDSIIDYPJGGM-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-5-phenylphenyl)piperazine?
The IUPAC name of 1-(3,4-dimethyl-5-phenylphenyl)piperazine (CID 20680417) is 1-(3,4-dimethyl-5-phenylphenyl)piperazine.
What is the SMILES notation for 1-(3,4-dimethyl-5-phenylphenyl)piperazine?
The canonical SMILES for 1-(3,4-dimethyl-5-phenylphenyl)piperazine is Cc1cc(N2CCNCC2)cc(-c2ccccc2)c1C.
What is the InChIKey of 1-(3,4-dimethyl-5-phenylphenyl)piperazine?
The InChIKey is LRKDSIIDYPJGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-14-12-17(20-10-8-19-9-11-20)13-18(15(14)2)16-6-4-3-5-7-16/h3-7,12-13,19H,8-11H2,1-2H3.
What are the key properties of 1-(3,4-dimethyl-5-phenylphenyl)piperazine?
1-(3,4-dimethyl-5-phenylphenyl)piperazine has a molecular weight of 266.39 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-5-phenylphenyl)piperazine is sourced from PubChem (CID 20680417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).