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

C19H20ClN3 — CID 2729517

IUPAC4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1H-indole
SMILESClc1ccccc1CN1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C19H20ClN3/c20-17-5-2-1-4-15(17)14-22-10-12-23(13-11-22)19-7-3-6-18-16(19)8-9-21-18/h1-9,21H,10-14H2
InChIKeyIKHUKLQDWXAECD-UHFFFAOYSA-N
MW325.84 g/mol
LogP4.14
Rot. Bonds3

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

4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1H-indole (PubChem CID 2729517) has the molecular formula C19H20ClN3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1H-indole.

Molecular Properties

Compound Name4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1H-indole
PubChem CID2729517
Molecular FormulaC19H20ClN3
Molecular Weight325.84 g/mol
Exact Mass325.13
IUPAC Name4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1H-indole
SMILESClc1ccccc1CN1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C19H20ClN3/c20-17-5-2-1-4-15(17)14-22-10-12-23(13-11-22)19-7-3-6-18-16(19)8-9-21-18/h1-9,21H,10-14H2
InChIKeyIKHUKLQDWXAECD-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 4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1H-indole?
The IUPAC name of 4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1H-indole (CID 2729517) is 4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1H-indole.
What is the SMILES notation for 4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1H-indole?
The canonical SMILES for 4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1H-indole is Clc1ccccc1CN1CCN(c2cccc3[nH]ccc23)CC1.
What is the InChIKey of 4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1H-indole?
The InChIKey is IKHUKLQDWXAECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3/c20-17-5-2-1-4-15(17)14-22-10-12-23(13-11-22)19-7-3-6-18-16(19)8-9-21-18/h1-9,21H,10-14H2.
What are the key properties of 4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1H-indole?
4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-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 4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1H-indole is sourced from PubChem (CID 2729517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).