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

C14H20ClN3 — CID 82624967

IUPAC7-chloro-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCN1CCN(CC2CNc3c(Cl)cccc32)CC1
InChIInChI=1S/C14H20ClN3/c1-17-5-7-18(8-6-17)10-11-9-16-14-12(11)3-2-4-13(14)15/h2-4,11,16H,5-10H2,1H3
InChIKeyMDYSCVMKONOUOL-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.10
Rot. Bonds2

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

7-chloro-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 82624967) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 7-chloro-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-chloro-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID82624967
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name7-chloro-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCN1CCN(CC2CNc3c(Cl)cccc32)CC1
InChIInChI=1S/C14H20ClN3/c1-17-5-7-18(8-6-17)10-11-9-16-14-12(11)3-2-4-13(14)15/h2-4,11,16H,5-10H2,1H3
InChIKeyMDYSCVMKONOUOL-UHFFFAOYSA-N
XLogP2.10
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-chloro-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole (CID 82624967) is 7-chloro-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-chloro-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-chloro-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole is CN1CCN(CC2CNc3c(Cl)cccc32)CC1.
What is the InChIKey of 7-chloro-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is MDYSCVMKONOUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-17-5-7-18(8-6-17)10-11-9-16-14-12(11)3-2-4-13(14)15/h2-4,11,16H,5-10H2,1H3.
What are the key properties of 7-chloro-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
7-chloro-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 265.79 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 82624967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).