2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline

C13H21N3 — CID 82509242

IUPAC2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline
SMILESCc1cc(CN2CCNCC2)cc(N)c1C
InChIInChI=1S/C13H21N3/c1-10-7-12(8-13(14)11(10)2)9-16-5-3-15-4-6-16/h7-8,15H,3-6,9,14H2,1-2H3
InChIKeyPGIJZNBWJUNLIT-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.29
Rot. Bonds2

About 2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline

2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline (PubChem CID 82509242) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline.

Molecular Properties

Compound Name2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline
PubChem CID82509242
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline
SMILESCc1cc(CN2CCNCC2)cc(N)c1C
InChIInChI=1S/C13H21N3/c1-10-7-12(8-13(14)11(10)2)9-16-5-3-15-4-6-16/h7-8,15H,3-6,9,14H2,1-2H3
InChIKeyPGIJZNBWJUNLIT-UHFFFAOYSA-N
XLogP1.29
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2-methyl-5-(piperazin-1-ylmethyl)aniline
CID 82509599
1-[(3,4,5-trimethylphenyl)methyl]piperidine
CID 91162015
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine
CID 117411213
1-[(3-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390262
1-[(3-fluoro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 83842778
1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine
CID 117368977
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine
CID 84700154
1-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepane
CID 55039426
7-fluoro-1,3-dimethyl-5-(piperazin-1-ylmethyl)indole
CID 117407896
1-[(5-ethylthiophen-3-yl)methyl]piperazine
CID 82508207

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline?
The IUPAC name of 2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline (CID 82509242) is 2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline.
What is the SMILES notation for 2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline?
The canonical SMILES for 2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline is Cc1cc(CN2CCNCC2)cc(N)c1C.
What is the InChIKey of 2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline?
The InChIKey is PGIJZNBWJUNLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-7-12(8-13(14)11(10)2)9-16-5-3-15-4-6-16/h7-8,15H,3-6,9,14H2,1-2H3.
What are the key properties of 2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline?
2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline has a molecular weight of 219.33 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline is sourced from PubChem (CID 82509242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).