3-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1H-indole

C20H21Cl2N3 — CID 54597747

IUPAC3-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1H-indole
SMILESClc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)cc1Cl
InChIInChI=1S/C20H21Cl2N3/c21-18-6-5-15(11-19(18)22)13-24-7-9-25(10-8-24)14-16-12-23-20-4-2-1-3-17(16)20/h1-6,11-12,23H,7-10,13-14H2
InChIKeyGBYXTIZDOIKXPZ-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.79
Rot. Bonds4

About 3-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1H-indole

3-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1H-indole (PubChem CID 54597747) has the molecular formula C20H21Cl2N3 and a molecular weight of 374.32 g/mol. Its IUPAC name is 3-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1H-indole
PubChem CID54597747
Molecular FormulaC20H21Cl2N3
Molecular Weight374.32 g/mol
Exact Mass373.11
IUPAC Name3-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1H-indole
SMILESClc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)cc1Cl
InChIInChI=1S/C20H21Cl2N3/c21-18-6-5-15(11-19(18)22)13-24-7-9-25(10-8-24)14-16-12-23-20-4-2-1-3-17(16)20/h1-6,11-12,23H,7-10,13-14H2
InChIKeyGBYXTIZDOIKXPZ-UHFFFAOYSA-N
XLogP4.79
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1H-indole?
The IUPAC name of 3-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1H-indole (CID 54597747) is 3-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 3-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1H-indole?
The canonical SMILES for 3-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1H-indole is Clc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)cc1Cl.
What is the InChIKey of 3-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1H-indole?
The InChIKey is GBYXTIZDOIKXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3/c21-18-6-5-15(11-19(18)22)13-24-7-9-25(10-8-24)14-16-12-23-20-4-2-1-3-17(16)20/h1-6,11-12,23H,7-10,13-14H2.
What are the key properties of 3-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1H-indole?
3-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1H-indole has a molecular weight of 374.32 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 54597747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).