7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole

C17H27N3 — CID 114327101

IUPAC7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCC(C)(C)N1CCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C17H27N3/c1-17(2,3)20-11-9-19(10-12-20)13-15-6-4-5-14-7-8-18-16(14)15/h4-6,18H,7-13H2,1-3H3
InChIKeyULCXKZXTMQQBOA-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.57
Rot. Bonds2

About 7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole

7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 114327101) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID114327101
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCC(C)(C)N1CCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C17H27N3/c1-17(2,3)20-11-9-19(10-12-20)13-15-6-4-5-14-7-8-18-16(14)15/h4-6,18H,7-13H2,1-3H3
InChIKeyULCXKZXTMQQBOA-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 114327215
7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327058
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
(2R)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]propan-2-ol
CID 120848864
7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327111
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 114327059
7-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole;hydrochloride
CID 120847704
4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine
CID 113278018
7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277959
2-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-1,3-thiazole
CID 114327008
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
CID 120849941

Frequently Asked Questions

What is the IUPAC name of 7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole (CID 114327101) is 7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole is CC(C)(C)N1CCN(Cc2cccc3c2NCC3)CC1.
What is the InChIKey of 7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is ULCXKZXTMQQBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-17(2,3)20-11-9-19(10-12-20)13-15-6-4-5-14-7-8-18-16(14)15/h4-6,18H,7-13H2,1-3H3.
What are the key properties of 7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 273.42 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 114327101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).