1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine

C16H27N3 — CID 82024010

IUPAC1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
SMILESCc1ccc(C)c(C(CN2CCNCC2)N(C)C)c1
InChIInChI=1S/C16H27N3/c1-13-5-6-14(2)15(11-13)16(18(3)4)12-19-9-7-17-8-10-19/h5-6,11,16-17H,7-10,12H2,1-4H3
InChIKeyTWVVEFPXYOFZQJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.81
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine

1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine (PubChem CID 82024010) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
PubChem CID82024010
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
SMILESCc1ccc(C)c(C(CN2CCNCC2)N(C)C)c1
InChIInChI=1S/C16H27N3/c1-13-5-6-14(2)15(11-13)16(18(3)4)12-19-9-7-17-8-10-19/h5-6,11,16-17H,7-10,12H2,1-4H3
InChIKeyTWVVEFPXYOFZQJ-UHFFFAOYSA-N
XLogP1.81
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3464047
1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906876
1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 4580010
2-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 82302460
2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine
CID 116907390
N-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide
CID 60851256
3-(dimethylamino)-3-(2,5-dimethylphenyl)propanenitrile
CID 116909868
(2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183677
1-[2-(5-fluoro-2-methylphenyl)propyl]piperazine
CID 82510778
1-[2-(3-methylphenyl)propyl]piperazine
CID 82509212
1-[2-(2-methylphenyl)propyl]piperazine
CID 82509211
2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol
CID 4274670

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine (CID 82024010) is 1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine is Cc1ccc(C)c(C(CN2CCNCC2)N(C)C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine?
The InChIKey is TWVVEFPXYOFZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13-5-6-14(2)15(11-13)16(18(3)4)12-19-9-7-17-8-10-19/h5-6,11,16-17H,7-10,12H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine?
1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine has a molecular weight of 261.41 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine is sourced from PubChem (CID 82024010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).