5-methyl-1-[(3-methylphenyl)methyl]-2-propylpiperazine

C16H26N2 — CID 64844892

IUPAC5-methyl-1-[(3-methylphenyl)methyl]-2-propylpiperazine
SMILESCCCC1CNC(C)CN1Cc1cccc(C)c1
InChIInChI=1S/C16H26N2/c1-4-6-16-10-17-14(3)11-18(16)12-15-8-5-7-13(2)9-15/h5,7-9,14,16-17H,4,6,10-12H2,1-3H3
InChIKeyOMHAHTAAWRQTDF-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.96
Rot. Bonds4

About 5-methyl-1-[(3-methylphenyl)methyl]-2-propylpiperazine

5-methyl-1-[(3-methylphenyl)methyl]-2-propylpiperazine (PubChem CID 64844892) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 5-methyl-1-[(3-methylphenyl)methyl]-2-propylpiperazine.

Molecular Properties

Compound Name5-methyl-1-[(3-methylphenyl)methyl]-2-propylpiperazine
PubChem CID64844892
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name5-methyl-1-[(3-methylphenyl)methyl]-2-propylpiperazine
SMILESCCCC1CNC(C)CN1Cc1cccc(C)c1
InChIInChI=1S/C16H26N2/c1-4-6-16-10-17-14(3)11-18(16)12-15-8-5-7-13(2)9-15/h5,7-9,14,16-17H,4,6,10-12H2,1-3H3
InChIKeyOMHAHTAAWRQTDF-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
CID 64845681
5-methyl-1-(4-phenylbutyl)-2-propylpiperazine
CID 114334915
5-methyl-2-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64845678
1-[(5-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
CID 103050719
1-[(5-bromothiophen-2-yl)methyl]-5-methyl-2-propylpiperazine
CID 64846473
1-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
CID 114860324
5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine
CID 64848611
[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol
CID 178163540
3-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64834386
(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine
CID 71174749
1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine
CID 64846770
1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine
CID 64844873

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(3-methylphenyl)methyl]-2-propylpiperazine?
The IUPAC name of 5-methyl-1-[(3-methylphenyl)methyl]-2-propylpiperazine (CID 64844892) is 5-methyl-1-[(3-methylphenyl)methyl]-2-propylpiperazine.
What is the SMILES notation for 5-methyl-1-[(3-methylphenyl)methyl]-2-propylpiperazine?
The canonical SMILES for 5-methyl-1-[(3-methylphenyl)methyl]-2-propylpiperazine is CCCC1CNC(C)CN1Cc1cccc(C)c1.
What is the InChIKey of 5-methyl-1-[(3-methylphenyl)methyl]-2-propylpiperazine?
The InChIKey is OMHAHTAAWRQTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-6-16-10-17-14(3)11-18(16)12-15-8-5-7-13(2)9-15/h5,7-9,14,16-17H,4,6,10-12H2,1-3H3.
What are the key properties of 5-methyl-1-[(3-methylphenyl)methyl]-2-propylpiperazine?
5-methyl-1-[(3-methylphenyl)methyl]-2-propylpiperazine has a molecular weight of 246.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(3-methylphenyl)methyl]-2-propylpiperazine is sourced from PubChem (CID 64844892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).