1-[3-(3,4-dimethylphenyl)-2-methylpropyl]piperazine

C16H26N2 — CID 82118543

IUPAC1-[3-(3,4-dimethylphenyl)-2-methylpropyl]piperazine
SMILESCc1ccc(CC(C)CN2CCNCC2)cc1C
InChIInChI=1S/C16H26N2/c1-13(12-18-8-6-17-7-9-18)10-16-5-4-14(2)15(3)11-16/h4-5,11,13,17H,6-10,12H2,1-3H3
InChIKeyGBVAMXQUKFOHEW-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.39
Rot. Bonds4

About 1-[3-(3,4-dimethylphenyl)-2-methylpropyl]piperazine

1-[3-(3,4-dimethylphenyl)-2-methylpropyl]piperazine (PubChem CID 82118543) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[3-(3,4-dimethylphenyl)-2-methylpropyl]piperazine.

Molecular Properties

Compound Name1-[3-(3,4-dimethylphenyl)-2-methylpropyl]piperazine
PubChem CID82118543
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[3-(3,4-dimethylphenyl)-2-methylpropyl]piperazine
SMILESCc1ccc(CC(C)CN2CCNCC2)cc1C
InChIInChI=1S/C16H26N2/c1-13(12-18-8-6-17-7-9-18)10-16-5-4-14(2)15(3)11-16/h4-5,11,13,17H,6-10,12H2,1-3H3
InChIKeyGBVAMXQUKFOHEW-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol
CID 143865960
1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine
CID 135225472
1-[2-methyl-3-(5-methylfuran-2-yl)propyl]piperazine
CID 116931937
1-(3,4-dimethylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine
CID 115230056
1-[2-(3,4-dimethylphenyl)ethyl]-1,4-diazepane
CID 82289921
4-(3,4-dimethylphenyl)-4-oxo-3-(piperazin-1-ylmethyl)butanoic acid
CID 82098950
1-[2-(5-fluoro-2-methylphenyl)propyl]piperazine
CID 82510778
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
4-(2-chloro-3-methylbutyl)-1,2-dimethylbenzene
CID 63520209
1-[1-(4-fluoro-3-methylphenyl)-3-methylbutan-2-yl]piperazine
CID 82486399
1-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3464047

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethylphenyl)-2-methylpropyl]piperazine?
The IUPAC name of 1-[3-(3,4-dimethylphenyl)-2-methylpropyl]piperazine (CID 82118543) is 1-[3-(3,4-dimethylphenyl)-2-methylpropyl]piperazine.
What is the SMILES notation for 1-[3-(3,4-dimethylphenyl)-2-methylpropyl]piperazine?
The canonical SMILES for 1-[3-(3,4-dimethylphenyl)-2-methylpropyl]piperazine is Cc1ccc(CC(C)CN2CCNCC2)cc1C.
What is the InChIKey of 1-[3-(3,4-dimethylphenyl)-2-methylpropyl]piperazine?
The InChIKey is GBVAMXQUKFOHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(12-18-8-6-17-7-9-18)10-16-5-4-14(2)15(3)11-16/h4-5,11,13,17H,6-10,12H2,1-3H3.
What are the key properties of 1-[3-(3,4-dimethylphenyl)-2-methylpropyl]piperazine?
1-[3-(3,4-dimethylphenyl)-2-methylpropyl]piperazine has a molecular weight of 246.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethylphenyl)-2-methylpropyl]piperazine is sourced from PubChem (CID 82118543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).