2,5-dimethoxy-4-methyl-N-(piperazin-1-ylmethyl)aniline

C14H23N3O2 — CID 115229788

IUPAC2,5-dimethoxy-4-methyl-N-(piperazin-1-ylmethyl)aniline
SMILESCOc1cc(NCN2CCNCC2)c(OC)cc1C
InChIInChI=1S/C14H23N3O2/c1-11-8-14(19-3)12(9-13(11)18-2)16-10-17-6-4-15-5-7-17/h8-9,15-16H,4-7,10H2,1-3H3
InChIKeyVNNNVWUVJMETQH-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.29
Rot. Bonds5

About 2,5-dimethoxy-4-methyl-N-(piperazin-1-ylmethyl)aniline

2,5-dimethoxy-4-methyl-N-(piperazin-1-ylmethyl)aniline (PubChem CID 115229788) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2,5-dimethoxy-4-methyl-N-(piperazin-1-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-dimethoxy-4-methyl-N-(piperazin-1-ylmethyl)aniline
PubChem CID115229788
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2,5-dimethoxy-4-methyl-N-(piperazin-1-ylmethyl)aniline
SMILESCOc1cc(NCN2CCNCC2)c(OC)cc1C
InChIInChI=1S/C14H23N3O2/c1-11-8-14(19-3)12(9-13(11)18-2)16-10-17-6-4-15-5-7-17/h8-9,15-16H,4-7,10H2,1-3H3
InChIKeyVNNNVWUVJMETQH-UHFFFAOYSA-N
XLogP1.29
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390256
2,5-dimethoxy-4-methyl-N-(morpholin-2-ylmethyl)aniline
CID 115237476
3-N-(2,5-dimethoxy-4-methylphenyl)-3-methylbutane-1,3-diamine
CID 115134457
1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine
CID 117458592
1-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384381
1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine
CID 117446675
4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117379682
1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine
CID 117384392
2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine
CID 82083204
1-[1-(4-methoxy-2,5-dimethylphenyl)propan-2-yl]piperazine
CID 82302982
1-(2-methoxy-4,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 5136943
N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline
CID 115207226

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-4-methyl-N-(piperazin-1-ylmethyl)aniline?
The IUPAC name of 2,5-dimethoxy-4-methyl-N-(piperazin-1-ylmethyl)aniline (CID 115229788) is 2,5-dimethoxy-4-methyl-N-(piperazin-1-ylmethyl)aniline.
What is the SMILES notation for 2,5-dimethoxy-4-methyl-N-(piperazin-1-ylmethyl)aniline?
The canonical SMILES for 2,5-dimethoxy-4-methyl-N-(piperazin-1-ylmethyl)aniline is COc1cc(NCN2CCNCC2)c(OC)cc1C.
What is the InChIKey of 2,5-dimethoxy-4-methyl-N-(piperazin-1-ylmethyl)aniline?
The InChIKey is VNNNVWUVJMETQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-8-14(19-3)12(9-13(11)18-2)16-10-17-6-4-15-5-7-17/h8-9,15-16H,4-7,10H2,1-3H3.
What are the key properties of 2,5-dimethoxy-4-methyl-N-(piperazin-1-ylmethyl)aniline?
2,5-dimethoxy-4-methyl-N-(piperazin-1-ylmethyl)aniline has a molecular weight of 265.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-4-methyl-N-(piperazin-1-ylmethyl)aniline is sourced from PubChem (CID 115229788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).