2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-dimethylindole

C17H25N3 — CID 107236413

IUPAC2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-dimethylindole
SMILESCc1c(CN2CC(C)NCC2C)n(C)c2ccccc12
InChIInChI=1S/C17H25N3/c1-12-10-20(13(2)9-18-12)11-17-14(3)15-7-5-6-8-16(15)19(17)4/h5-8,12-13,18H,9-11H2,1-4H3
InChIKeyQSVQLWXRIGTBIQ-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.67
Rot. Bonds2

About 2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-dimethylindole

2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-dimethylindole (PubChem CID 107236413) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-dimethylindole.

Molecular Properties

Compound Name2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-dimethylindole
PubChem CID107236413
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-dimethylindole
SMILESCc1c(CN2CC(C)NCC2C)n(C)c2ccccc12
InChIInChI=1S/C17H25N3/c1-12-10-20(13(2)9-18-12)11-17-14(3)15-7-5-6-8-16(15)19(17)4/h5-8,12-13,18H,9-11H2,1-4H3
InChIKeyQSVQLWXRIGTBIQ-UHFFFAOYSA-N
XLogP2.67
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine
CID 64844873
ethane;1,2,3-trimethylindole
CID 91590745
1-[4-[(1,3-dimethylindol-2-yl)methyl]morpholin-2-yl]ethanamine
CID 107236440
1-(1-benzothiophen-2-ylmethyl)-2,5-dimethylpiperazine
CID 120906114
(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine
CID 71174749
2-(methoxymethyl)-1,3-dimethylindole
CID 101050705
2,5-dimethyl-1-[4-(2-methylphenoxy)butyl]piperazine
CID 82248508
2,5-dimethyl-1-[(5-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120906169
2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine
CID 114702065
6-[(2,5-dimethylpiperazin-1-yl)methyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride
CID 120906147
1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906434

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-dimethylindole?
The IUPAC name of 2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-dimethylindole (CID 107236413) is 2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-dimethylindole.
What is the SMILES notation for 2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-dimethylindole?
The canonical SMILES for 2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-dimethylindole is Cc1c(CN2CC(C)NCC2C)n(C)c2ccccc12.
What is the InChIKey of 2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-dimethylindole?
The InChIKey is QSVQLWXRIGTBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12-10-20(13(2)9-18-12)11-17-14(3)15-7-5-6-8-16(15)19(17)4/h5-8,12-13,18H,9-11H2,1-4H3.
What are the key properties of 2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-dimethylindole?
2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-dimethylindole has a molecular weight of 271.41 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-dimethylindole is sourced from PubChem (CID 107236413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).