1-[(2,4,6-trimethylphenyl)methyl]piperazine

C14H22N2 — CID 2737385

IUPAC1-[(2,4,6-trimethylphenyl)methyl]piperazine
SMILESCc1cc(C)c(CN2CCNCC2)c(C)c1
InChIInChI=1S/C14H22N2/c1-11-8-12(2)14(13(3)9-11)10-16-6-4-15-5-7-16/h8-9,15H,4-7,10H2,1-3H3
InChIKeyFOERNUXLFALRDN-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.02
Rot. Bonds2

About 1-[(2,4,6-trimethylphenyl)methyl]piperazine

1-[(2,4,6-trimethylphenyl)methyl]piperazine (PubChem CID 2737385) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[(2,4,6-trimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,4,6-trimethylphenyl)methyl]piperazine
PubChem CID2737385
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-[(2,4,6-trimethylphenyl)methyl]piperazine
SMILESCc1cc(C)c(CN2CCNCC2)c(C)c1
InChIInChI=1S/C14H22N2/c1-11-8-12(2)14(13(3)9-11)10-16-6-4-15-5-7-16/h8-9,15H,4-7,10H2,1-3H3
InChIKeyFOERNUXLFALRDN-UHFFFAOYSA-N
XLogP2.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4,6-trimethylphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,4,6-trimethylphenyl)methyl]piperazine (CID 2737385) is 1-[(2,4,6-trimethylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,4,6-trimethylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,4,6-trimethylphenyl)methyl]piperazine is Cc1cc(C)c(CN2CCNCC2)c(C)c1.
What is the InChIKey of 1-[(2,4,6-trimethylphenyl)methyl]piperazine?
The InChIKey is FOERNUXLFALRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-8-12(2)14(13(3)9-11)10-16-6-4-15-5-7-16/h8-9,15H,4-7,10H2,1-3H3.
What are the key properties of 1-[(2,4,6-trimethylphenyl)methyl]piperazine?
1-[(2,4,6-trimethylphenyl)methyl]piperazine has a molecular weight of 218.34 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4,6-trimethylphenyl)methyl]piperazine is sourced from PubChem (CID 2737385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).