1-benzyl-2,4,5-trimethylpiperazine

C14H22N2 — CID 72621990

IUPAC1-benzyl-2,4,5-trimethylpiperazine
SMILESCC1CN(Cc2ccccc2)C(C)CN1C
InChIInChI=1S/C14H22N2/c1-12-10-16(13(2)9-15(12)3)11-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3
InChIKeyVGXYQRIQYDOJFR-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.21
Rot. Bonds2

About 1-benzyl-2,4,5-trimethylpiperazine

1-benzyl-2,4,5-trimethylpiperazine (PubChem CID 72621990) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-benzyl-2,4,5-trimethylpiperazine.

Molecular Properties

Compound Name1-benzyl-2,4,5-trimethylpiperazine
PubChem CID72621990
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-benzyl-2,4,5-trimethylpiperazine
SMILESCC1CN(Cc2ccccc2)C(C)CN1C
InChIInChI=1S/C14H22N2/c1-12-10-16(13(2)9-15(12)3)11-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3
InChIKeyVGXYQRIQYDOJFR-UHFFFAOYSA-N
XLogP2.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(4-chlorophenyl)methyl]-2,4,5-trimethylpiperazine
CID 142239812
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
1-benzyl-2,4-dimethylpiperazine;ethane
CID 145145723
(2S,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 101162371
(2R,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 131036325
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
1-benzyl-2,5-dimethylpiperidine
CID 73200484
1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-2-hydroxyethanone
CID 23405849
1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one
CID 21043697
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
1-benzyl-6-methylpiperidin-3-amine
CID 54593768

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,4,5-trimethylpiperazine?
The IUPAC name of 1-benzyl-2,4,5-trimethylpiperazine (CID 72621990) is 1-benzyl-2,4,5-trimethylpiperazine.
What is the SMILES notation for 1-benzyl-2,4,5-trimethylpiperazine?
The canonical SMILES for 1-benzyl-2,4,5-trimethylpiperazine is CC1CN(Cc2ccccc2)C(C)CN1C.
What is the InChIKey of 1-benzyl-2,4,5-trimethylpiperazine?
The InChIKey is VGXYQRIQYDOJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-10-16(13(2)9-15(12)3)11-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3.
What are the key properties of 1-benzyl-2,4,5-trimethylpiperazine?
1-benzyl-2,4,5-trimethylpiperazine has a molecular weight of 218.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,4,5-trimethylpiperazine is sourced from PubChem (CID 72621990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).