N,N,2-trimethyl-5-piperazin-1-ylaniline

C13H21N3 — CID 115378435

IUPACN,N,2-trimethyl-5-piperazin-1-ylaniline
SMILESCc1ccc(N2CCNCC2)cc1N(C)C
InChIInChI=1S/C13H21N3/c1-11-4-5-12(10-13(11)15(2)3)16-8-6-14-7-9-16/h4-5,10,14H,6-9H2,1-3H3
InChIKeyBLYJSWWQTCFVIC-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.47
Rot. Bonds2

About N,N,2-trimethyl-5-piperazin-1-ylaniline

N,N,2-trimethyl-5-piperazin-1-ylaniline (PubChem CID 115378435) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N,N,2-trimethyl-5-piperazin-1-ylaniline.

Molecular Properties

Compound NameN,N,2-trimethyl-5-piperazin-1-ylaniline
PubChem CID115378435
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN,N,2-trimethyl-5-piperazin-1-ylaniline
SMILESCc1ccc(N2CCNCC2)cc1N(C)C
InChIInChI=1S/C13H21N3/c1-11-4-5-12(10-13(11)15(2)3)16-8-6-14-7-9-16/h4-5,10,14H,6-9H2,1-3H3
InChIKeyBLYJSWWQTCFVIC-UHFFFAOYSA-N
XLogP1.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
5-(3,7-dimethyl-1,5-diazocan-1-yl)-N,N,2-trimethylaniline
CID 115379063
N,N,2-trimethyl-5-(3-propylpiperazin-1-yl)aniline
CID 115379367
N,N-dimethyl-4-piperazin-1-ylaniline
CID 4738754
(2-methyl-5-piperazin-1-ylphenyl)methanol
CID 84779190
2-methyl-5-piperazin-1-ylbenzonitrile
CID 84670211
ethane;1-(3-methoxy-4-methylphenyl)piperazine
CID 144693036
4-[4-(4-amino-3-methylphenyl)-1,4,7-triazonan-1-yl]-2-methylaniline
CID 23103839
1-(4-bromo-3-methylphenyl)piperazine;hydrochloride
CID 21071017
CID 174496529
CID 174496529
ethane;1-(4-methyl-3-prop-1-en-2-ylphenyl)piperazine
CID 155722084
1-[4-(2-ethoxyethoxy)-3-methylphenyl]piperazine
CID 63214688

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-piperazin-1-ylaniline?
The IUPAC name of N,N,2-trimethyl-5-piperazin-1-ylaniline (CID 115378435) is N,N,2-trimethyl-5-piperazin-1-ylaniline.
What is the SMILES notation for N,N,2-trimethyl-5-piperazin-1-ylaniline?
The canonical SMILES for N,N,2-trimethyl-5-piperazin-1-ylaniline is Cc1ccc(N2CCNCC2)cc1N(C)C.
What is the InChIKey of N,N,2-trimethyl-5-piperazin-1-ylaniline?
The InChIKey is BLYJSWWQTCFVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11-4-5-12(10-13(11)15(2)3)16-8-6-14-7-9-16/h4-5,10,14H,6-9H2,1-3H3.
What are the key properties of N,N,2-trimethyl-5-piperazin-1-ylaniline?
N,N,2-trimethyl-5-piperazin-1-ylaniline has a molecular weight of 219.33 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-piperazin-1-ylaniline is sourced from PubChem (CID 115378435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).