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

C19H20ClN3 — CID 511482

IUPAC3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole
SMILESClc1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C19H20ClN3/c20-16-5-7-17(8-6-16)23-11-9-22(10-12-23)14-15-13-21-19-4-2-1-3-18(15)19/h1-8,13,21H,9-12,14H2
InChIKeyNRWWWLAGZMNIDV-UHFFFAOYSA-N
MW325.84 g/mol
LogP4.14
Rot. Bonds3

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

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole (PubChem CID 511482) has the molecular formula C19H20ClN3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole
PubChem CID511482
Molecular FormulaC19H20ClN3
Molecular Weight325.84 g/mol
Exact Mass325.13
IUPAC Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole
SMILESClc1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C19H20ClN3/c20-16-5-7-17(8-6-16)23-11-9-22(10-12-23)14-15-13-21-19-4-2-1-3-18(15)19/h1-8,13,21H,9-12,14H2
InChIKeyNRWWWLAGZMNIDV-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 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole?
The IUPAC name of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole (CID 511482) is 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole?
The canonical SMILES for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole is Clc1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole?
The InChIKey is NRWWWLAGZMNIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3/c20-16-5-7-17(8-6-16)23-11-9-22(10-12-23)14-15-13-21-19-4-2-1-3-18(15)19/h1-8,13,21H,9-12,14H2.
What are the key properties of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole?
3-[[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 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 511482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).