1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine

C17H28N2 — CID 64844500

IUPAC1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
SMILESCc1ccc(CN2CC(C)NCC2C(C)C)cc1C
InChIInChI=1S/C17H28N2/c1-12(2)17-9-18-15(5)10-19(17)11-16-7-6-13(3)14(4)8-16/h6-8,12,15,17-18H,9-11H2,1-5H3
InChIKeyHAWZDPKKUFODDQ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.12
Rot. Bonds3

About 1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine

1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64844500) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
PubChem CID64844500
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
SMILESCc1ccc(CN2CC(C)NCC2C(C)C)cc1C
InChIInChI=1S/C17H28N2/c1-12(2)17-9-18-15(5)10-19(17)11-16-7-6-13(3)14(4)8-16/h6-8,12,15,17-18H,9-11H2,1-5H3
InChIKeyHAWZDPKKUFODDQ-UHFFFAOYSA-N
XLogP3.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64842124
(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
CID 46705371
1-[(3-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64844307
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64847914
1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64846874
1-benzyl-2-butan-2-yl-5-methylpiperazine
CID 64845112
1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906434
1-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine
CID 64839645
2,5-dimethyl-1-[(4-methyl-3-nitrophenyl)methyl]piperazine
CID 120906202
5-[(5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644827
3-butan-2-yl-1-[(3,4-dimethylphenyl)methyl]-7-methyl-1,4-diazepane
CID 64870557
5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 105375744

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine (CID 64844500) is 1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine is Cc1ccc(CN2CC(C)NCC2C(C)C)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is HAWZDPKKUFODDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12(2)17-9-18-15(5)10-19(17)11-16-7-6-13(3)14(4)8-16/h6-8,12,15,17-18H,9-11H2,1-5H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine?
1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 260.43 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64844500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).