3-(3-tert-butylpiperazin-1-yl)-N,N-dimethylaniline

C16H27N3 — CID 115379271

IUPAC3-(3-tert-butylpiperazin-1-yl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(N2CCNC(C(C)(C)C)C2)c1
InChIInChI=1S/C16H27N3/c1-16(2,3)15-12-19(10-9-17-15)14-8-6-7-13(11-14)18(4)5/h6-8,11,15,17H,9-10,12H2,1-5H3
InChIKeyITQKCPABJFBUCI-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.58
Rot. Bonds2

About 3-(3-tert-butylpiperazin-1-yl)-N,N-dimethylaniline

3-(3-tert-butylpiperazin-1-yl)-N,N-dimethylaniline (PubChem CID 115379271) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(3-tert-butylpiperazin-1-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(3-tert-butylpiperazin-1-yl)-N,N-dimethylaniline
PubChem CID115379271
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-(3-tert-butylpiperazin-1-yl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(N2CCNC(C(C)(C)C)C2)c1
InChIInChI=1S/C16H27N3/c1-16(2,3)15-12-19(10-9-17-15)14-8-6-7-13(11-14)18(4)5/h6-8,11,15,17H,9-10,12H2,1-5H3
InChIKeyITQKCPABJFBUCI-UHFFFAOYSA-N
XLogP2.58
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline
CID 115379314
N,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline
CID 115379281
3-tert-butyl-1-(3-fluoro-4-methylphenyl)piperazine
CID 64925792
3-tert-butyl-1-(2,6-dichlorophenyl)piperazine
CID 65499109
1-(4-bromo-3,5-dimethylphenyl)-3-tert-butylpiperazine
CID 107579910
3-tert-butyl-1-(3,5-dimethylphenyl)-1,4-diazepane
CID 64943909
3-tert-butyl-1-(2,4-dichlorophenyl)piperazine
CID 64925260
3-tert-butyl-1-(3-chloro-2-fluorophenyl)piperazine
CID 64925681
3-[3-(trifluoromethyl)piperazin-1-yl]benzoic acid
CID 162786476
1-phenyl-3-(trichloromethyl)piperazine
CID 118386883
1-[3-(dimethylamino)phenyl]-N-propan-2-ylpiperidin-3-amine
CID 115379191
3-(3-cyclopropyl-3-methyl-1,4-diazepan-1-yl)-N,N-dimethylaniline
CID 115379292

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylpiperazin-1-yl)-N,N-dimethylaniline?
The IUPAC name of 3-(3-tert-butylpiperazin-1-yl)-N,N-dimethylaniline (CID 115379271) is 3-(3-tert-butylpiperazin-1-yl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(3-tert-butylpiperazin-1-yl)-N,N-dimethylaniline?
The canonical SMILES for 3-(3-tert-butylpiperazin-1-yl)-N,N-dimethylaniline is CN(C)c1cccc(N2CCNC(C(C)(C)C)C2)c1.
What is the InChIKey of 3-(3-tert-butylpiperazin-1-yl)-N,N-dimethylaniline?
The InChIKey is ITQKCPABJFBUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-16(2,3)15-12-19(10-9-17-15)14-8-6-7-13(11-14)18(4)5/h6-8,11,15,17H,9-10,12H2,1-5H3.
What are the key properties of 3-(3-tert-butylpiperazin-1-yl)-N,N-dimethylaniline?
3-(3-tert-butylpiperazin-1-yl)-N,N-dimethylaniline has a molecular weight of 261.41 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylpiperazin-1-yl)-N,N-dimethylaniline is sourced from PubChem (CID 115379271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).