2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole

C19H20ClN3 — CID 18971633

IUPAC2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole
SMILESClc1ccc(N2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C19H20ClN3/c20-16-5-7-18(8-6-16)23-11-9-22(10-12-23)14-17-13-15-3-1-2-4-19(15)21-17/h1-8,13,21H,9-12,14H2
InChIKeySISDUKXQITXFEB-UHFFFAOYSA-N
MW325.84 g/mol
LogP4.14
Rot. Bonds3

About 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole

2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole (PubChem CID 18971633) has the molecular formula C19H20ClN3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole
PubChem CID18971633
Molecular FormulaC19H20ClN3
Molecular Weight325.84 g/mol
Exact Mass325.13
IUPAC Name2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole
SMILESClc1ccc(N2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C19H20ClN3/c20-16-5-7-18(8-6-16)23-11-9-22(10-12-23)14-17-13-15-3-1-2-4-19(15)21-17/h1-8,13,21H,9-12,14H2
InChIKeySISDUKXQITXFEB-UHFFFAOYSA-N
XLogP4.14
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole?
The IUPAC name of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole (CID 18971633) is 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole?
The canonical SMILES for 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole is Clc1ccc(N2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole?
The InChIKey is SISDUKXQITXFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3/c20-16-5-7-18(8-6-16)23-11-9-22(10-12-23)14-17-13-15-3-1-2-4-19(15)21-17/h1-8,13,21H,9-12,14H2.
What are the key properties of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole?
2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole has a molecular weight of 325.84 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 18971633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).