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

C16H25N3 — CID 114327058

IUPAC7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCC(C)N1CCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C16H25N3/c1-13(2)19-10-8-18(9-11-19)12-15-5-3-4-14-6-7-17-16(14)15/h3-5,13,17H,6-12H2,1-2H3
InChIKeyMIUOAPRAEWAYIF-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.18
Rot. Bonds3

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

7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 114327058) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID114327058
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCC(C)N1CCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C16H25N3/c1-13(2)19-10-8-18(9-11-19)12-15-5-3-4-14-6-7-17-16(14)15/h3-5,13,17H,6-12H2,1-2H3
InChIKeyMIUOAPRAEWAYIF-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]propan-2-ol
CID 120848864
7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327101
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
7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 114327215
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)-1-(2-methylpropyl)piperazin-2-one;hydrochloride
CID 120849423
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

Frequently Asked Questions

What is the IUPAC name of 7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole (CID 114327058) is 7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole is CC(C)N1CCN(Cc2cccc3c2NCC3)CC1.
What is the InChIKey of 7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is MIUOAPRAEWAYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13(2)19-10-8-18(9-11-19)12-15-5-3-4-14-6-7-17-16(14)15/h3-5,13,17H,6-12H2,1-2H3.
What are the key properties of 7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 259.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 114327058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).