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

C16H27N3 — CID 82302460

IUPAC2-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
SMILESCc1ccc(C)c(C(CN(C)C)N2CCNCC2)c1
InChIInChI=1S/C16H27N3/c1-13-5-6-14(2)15(11-13)16(12-18(3)4)19-9-7-17-8-10-19/h5-6,11,16-17H,7-10,12H2,1-4H3
InChIKeyIHDOMZHRKQVKIX-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.81
Rot. Bonds4

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

2-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine (PubChem CID 82302460) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
PubChem CID82302460
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
SMILESCc1ccc(C)c(C(CN(C)C)N2CCNCC2)c1
InChIInChI=1S/C16H27N3/c1-13-5-6-14(2)15(11-13)16(12-18(3)4)19-9-7-17-8-10-19/h5-6,11,16-17H,7-10,12H2,1-4H3
InChIKeyIHDOMZHRKQVKIX-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

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Related Compounds

(2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183677
(3R)-3-(2,5-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189349
1-[(1R)-1-(2,5-dimethylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171173102
1-[(1S)-1-(2,5-dimethylphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171283999
2-(4-fluoro-3-methylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 82304187
1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 82024010
1-[(1S)-1-(2,5-dimethylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171178089
1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine
CID 171182419
1-[1-(2,5-dimethylphenyl)ethyl]-1,4-diazepane
CID 3830311
(2S)-2-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183158
1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine;hydrochloride
CID 171182420
(3S)-3-(2,5-dimethylphenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol
CID 171178091

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine (CID 82302460) is 2-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine is Cc1ccc(C)c(C(CN(C)C)N2CCNCC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine?
The InChIKey is IHDOMZHRKQVKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13-5-6-14(2)15(11-13)16(12-18(3)4)19-9-7-17-8-10-19/h5-6,11,16-17H,7-10,12H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine?
2-(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 2-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine is sourced from PubChem (CID 82302460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).