2-methyl-4-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole

C17H27N3 — CID 117202895

IUPAC2-methyl-4-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole
SMILESCC(C)N1c2cccc(CN3CCNCC3)c2CC1C
InChIInChI=1S/C17H27N3/c1-13(2)20-14(3)11-16-15(5-4-6-17(16)20)12-19-9-7-18-8-10-19/h4-6,13-14,18H,7-12H2,1-3H3
InChIKeyRHDNHHHMLWLQRS-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.25
Rot. Bonds3

About 2-methyl-4-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole

2-methyl-4-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole (PubChem CID 117202895) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-methyl-4-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-4-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole
PubChem CID117202895
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-methyl-4-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole
SMILESCC(C)N1c2cccc(CN3CCNCC3)c2CC1C
InChIInChI=1S/C17H27N3/c1-13(2)20-14(3)11-16-15(5-4-6-17(16)20)12-19-9-7-18-8-10-19/h4-6,13-14,18H,7-12H2,1-3H3
InChIKeyRHDNHHHMLWLQRS-UHFFFAOYSA-N
XLogP2.25
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(2-bromo-3-methylphenyl)methyl]piperazine
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1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione
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1-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperazine
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1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine
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1-[[2-(triazol-1-yl)phenyl]methyl]piperazine
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1-[(3-methoxy-2-methylphenyl)methyl]piperazine
CID 83707267
3-methyl-6-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole
CID 117203743
1-[[3-(difluoromethyl)-2-methoxyphenyl]methyl]piperazine
CID 117394079

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole?
The IUPAC name of 2-methyl-4-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole (CID 117202895) is 2-methyl-4-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-4-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole?
The canonical SMILES for 2-methyl-4-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole is CC(C)N1c2cccc(CN3CCNCC3)c2CC1C.
What is the InChIKey of 2-methyl-4-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole?
The InChIKey is RHDNHHHMLWLQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13(2)20-14(3)11-16-15(5-4-6-17(16)20)12-19-9-7-18-8-10-19/h4-6,13-14,18H,7-12H2,1-3H3.
What are the key properties of 2-methyl-4-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole?
2-methyl-4-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole has a molecular weight of 273.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole is sourced from PubChem (CID 117202895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).