1-[(4-methyl-3-phenylphenyl)methyl]piperazine

C18H22N2 — CID 117420356

IUPAC1-[(4-methyl-3-phenylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCNCC2)cc1-c1ccccc1
InChIInChI=1S/C18H22N2/c1-15-7-8-16(14-20-11-9-19-10-12-20)13-18(15)17-5-3-2-4-6-17/h2-8,13,19H,9-12,14H2,1H3
InChIKeyJJBUOPAXARQEFU-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.07
Rot. Bonds3

About 1-[(4-methyl-3-phenylphenyl)methyl]piperazine

1-[(4-methyl-3-phenylphenyl)methyl]piperazine (PubChem CID 117420356) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[(4-methyl-3-phenylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-methyl-3-phenylphenyl)methyl]piperazine
PubChem CID117420356
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-[(4-methyl-3-phenylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCNCC2)cc1-c1ccccc1
InChIInChI=1S/C18H22N2/c1-15-7-8-16(14-20-11-9-19-10-12-20)13-18(15)17-5-3-2-4-6-17/h2-8,13,19H,9-12,14H2,1H3
InChIKeyJJBUOPAXARQEFU-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-3-phenylphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-methyl-3-phenylphenyl)methyl]piperazine (CID 117420356) is 1-[(4-methyl-3-phenylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-methyl-3-phenylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-methyl-3-phenylphenyl)methyl]piperazine is Cc1ccc(CN2CCNCC2)cc1-c1ccccc1.
What is the InChIKey of 1-[(4-methyl-3-phenylphenyl)methyl]piperazine?
The InChIKey is JJBUOPAXARQEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-15-7-8-16(14-20-11-9-19-10-12-20)13-18(15)17-5-3-2-4-6-17/h2-8,13,19H,9-12,14H2,1H3.
What are the key properties of 1-[(4-methyl-3-phenylphenyl)methyl]piperazine?
1-[(4-methyl-3-phenylphenyl)methyl]piperazine has a molecular weight of 266.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-3-phenylphenyl)methyl]piperazine is sourced from PubChem (CID 117420356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).