1-[(3-chlorophenyl)methyl]-4-piperazin-1-ylindole

C19H20ClN3 — CID 90109808

IUPAC1-[(3-chlorophenyl)methyl]-4-piperazin-1-ylindole
SMILESClc1cccc(Cn2ccc3c(N4CCNCC4)cccc32)c1
InChIInChI=1S/C19H20ClN3/c20-16-4-1-3-15(13-16)14-23-10-7-17-18(5-2-6-19(17)23)22-11-8-21-9-12-22/h1-7,10,13,21H,8-9,11-12,14H2
InChIKeyFFPVBMPZTNCGKI-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.75
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-4-piperazin-1-ylindole

1-[(3-chlorophenyl)methyl]-4-piperazin-1-ylindole (PubChem CID 90109808) has the molecular formula C19H20ClN3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-piperazin-1-ylindole.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-piperazin-1-ylindole
PubChem CID90109808
Molecular FormulaC19H20ClN3
Molecular Weight325.84 g/mol
Exact Mass325.13
IUPAC Name1-[(3-chlorophenyl)methyl]-4-piperazin-1-ylindole
SMILESClc1cccc(Cn2ccc3c(N4CCNCC4)cccc32)c1
InChIInChI=1S/C19H20ClN3/c20-16-4-1-3-15(13-16)14-23-10-7-17-18(5-2-6-19(17)23)22-11-8-21-9-12-22/h1-7,10,13,21H,8-9,11-12,14H2
InChIKeyFFPVBMPZTNCGKI-UHFFFAOYSA-N
XLogP3.75
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-piperazin-1-ylindole?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-piperazin-1-ylindole (CID 90109808) is 1-[(3-chlorophenyl)methyl]-4-piperazin-1-ylindole.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-piperazin-1-ylindole?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-piperazin-1-ylindole is Clc1cccc(Cn2ccc3c(N4CCNCC4)cccc32)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-piperazin-1-ylindole?
The InChIKey is FFPVBMPZTNCGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3/c20-16-4-1-3-15(13-16)14-23-10-7-17-18(5-2-6-19(17)23)22-11-8-21-9-12-22/h1-7,10,13,21H,8-9,11-12,14H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-piperazin-1-ylindole?
1-[(3-chlorophenyl)methyl]-4-piperazin-1-ylindole has a molecular weight of 325.84 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-piperazin-1-ylindole is sourced from PubChem (CID 90109808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).