3-methyl-6-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole

C17H27N3 — CID 117203743

IUPAC3-methyl-6-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole
SMILESCC1CN(C(C)C)c2cc(CN3CCNCC3)ccc21
InChIInChI=1S/C17H27N3/c1-13(2)20-11-14(3)16-5-4-15(10-17(16)20)12-19-8-6-18-7-9-19/h4-5,10,13-14,18H,6-9,11-12H2,1-3H3
InChIKeyWMXOAINNVIYFAO-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.42
Rot. Bonds3

About 3-methyl-6-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole

3-methyl-6-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole (PubChem CID 117203743) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-methyl-6-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole.

Molecular Properties

Compound Name3-methyl-6-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole
PubChem CID117203743
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-methyl-6-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole
SMILESCC1CN(C(C)C)c2cc(CN3CCNCC3)ccc21
InChIInChI=1S/C17H27N3/c1-13(2)20-11-14(3)16-5-4-15(10-17(16)20)12-19-8-6-18-7-9-19/h4-5,10,13-14,18H,6-9,11-12H2,1-3H3
InChIKeyWMXOAINNVIYFAO-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-methyl-1-propan-2-yl-2,3-dihydroindol-6-yl)methanamine
CID 117203766
1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazine
CID 117203737
6-(piperazin-1-ylmethyl)-2-propan-2-yl-3H-isoindol-1-one
CID 117436557
1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117203229
3-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 117203387
4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol
CID 117111640
2-methyl-5-(piperazin-1-ylmethyl)-1-propan-2-ylindole
CID 117204577
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one
CID 82510622
1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine
CID 4279742
1-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]piperazine
CID 84753153

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole?
The IUPAC name of 3-methyl-6-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole (CID 117203743) is 3-methyl-6-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole.
What is the SMILES notation for 3-methyl-6-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole?
The canonical SMILES for 3-methyl-6-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole is CC1CN(C(C)C)c2cc(CN3CCNCC3)ccc21.
What is the InChIKey of 3-methyl-6-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole?
The InChIKey is WMXOAINNVIYFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13(2)20-11-14(3)16-5-4-15(10-17(16)20)12-19-8-6-18-7-9-19/h4-5,10,13-14,18H,6-9,11-12H2,1-3H3.
What are the key properties of 3-methyl-6-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole?
3-methyl-6-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole has a molecular weight of 273.42 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole is sourced from PubChem (CID 117203743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).