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

C15H23N3 — CID 117203229

IUPAC1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
SMILESCC1Cc2cc(CN3CCNCC3)ccc2N1C
InChIInChI=1S/C15H23N3/c1-12-9-14-10-13(3-4-15(14)17(12)2)11-18-7-5-16-6-8-18/h3-4,10,12,16H,5-9,11H2,1-2H3
InChIKeyPJACFFJHMHIXPU-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.47
Rot. Bonds2

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

1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole (PubChem CID 117203229) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
PubChem CID117203229
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
SMILESCC1Cc2cc(CN3CCNCC3)ccc2N1C
InChIInChI=1S/C15H23N3/c1-12-9-14-10-13(3-4-15(14)17(12)2)11-18-7-5-16-6-8-18/h3-4,10,12,16H,5-9,11H2,1-2H3
InChIKeyPJACFFJHMHIXPU-UHFFFAOYSA-N
XLogP1.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-(1,2-dimethyl-2,3-dihydroindol-5-yl)propan-2-ol
CID 117203180
2-ethyl-1-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 82260575
3-methyl-1-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 82260576
1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine
CID 84753167
1-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]pentan-1-one
CID 82260573
5-chloro-1-methyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117201093
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
1-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]piperazine
CID 84753153
3-methyl-6-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole
CID 117203743
1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazine
CID 117203737
7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 82263603
1-methyl-2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-2,3-dihydroindole
CID 117200637

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole?
The IUPAC name of 1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole (CID 117203229) is 1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole.
What is the SMILES notation for 1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole?
The canonical SMILES for 1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole is CC1Cc2cc(CN3CCNCC3)ccc2N1C.
What is the InChIKey of 1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole?
The InChIKey is PJACFFJHMHIXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12-9-14-10-13(3-4-15(14)17(12)2)11-18-7-5-16-6-8-18/h3-4,10,12,16H,5-9,11H2,1-2H3.
What are the key properties of 1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole?
1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole has a molecular weight of 245.37 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 1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole is sourced from PubChem (CID 117203229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).