1-(4-chlorophenyl)-2-piperazin-1-ylindole

C18H18ClN3 — CID 67372498

IUPAC1-(4-chlorophenyl)-2-piperazin-1-ylindole
SMILESClc1ccc(-n2c(N3CCNCC3)cc3ccccc32)cc1
InChIInChI=1S/C18H18ClN3/c19-15-5-7-16(8-6-15)22-17-4-2-1-3-14(17)13-18(22)21-11-9-20-10-12-21/h1-8,13,20H,9-12H2
InChIKeyGURGUNZQRDIMPU-UHFFFAOYSA-N
MW311.82 g/mol
LogP3.69
Rot. Bonds2

About 1-(4-chlorophenyl)-2-piperazin-1-ylindole

1-(4-chlorophenyl)-2-piperazin-1-ylindole (PubChem CID 67372498) has the molecular formula C18H18ClN3 and a molecular weight of 311.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-piperazin-1-ylindole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-piperazin-1-ylindole
PubChem CID67372498
Molecular FormulaC18H18ClN3
Molecular Weight311.82 g/mol
Exact Mass311.12
IUPAC Name1-(4-chlorophenyl)-2-piperazin-1-ylindole
SMILESClc1ccc(-n2c(N3CCNCC3)cc3ccccc32)cc1
InChIInChI=1S/C18H18ClN3/c19-15-5-7-16(8-6-15)22-17-4-2-1-3-14(17)13-18(22)21-11-9-20-10-12-21/h1-8,13,20H,9-12H2
InChIKeyGURGUNZQRDIMPU-UHFFFAOYSA-N
XLogP3.69
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-piperazin-1-ylindole
CID 67370732
2-[4-(4-chlorophenyl)piperazin-1-yl]-4-phenyl-6-piperazin-1-yl-1,3,5-triazine
CID 11561156
1-[4-(4-chlorophenyl)phenyl]-1,4-diazepane
CID 16755362
1-piperazin-1-ylindol-2-ol
CID 57047834
1-(4-chlorophenyl)indole-2-carboxylic acid;1-propan-2-ylpiperidin-4-amine
CID 172769945
1-(3,4-difluorophenyl)piperazine
CID 2783122
4-oxo-2-piperazin-1-ylquinoline-1-carbaldehyde
CID 87579229
1-(2-chlorophenyl)piperazine
CID 162116490
N-[(E)-benzylideneamino]-4-[4-(4-chlorophenyl)piperazin-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 11576555
3-chloro-1-piperazin-1-ylisoquinoline
CID 23155794
3-piperazin-1-ylquinoline;dihydrochloride
CID 54593446
1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 20801083

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-piperazin-1-ylindole?
The IUPAC name of 1-(4-chlorophenyl)-2-piperazin-1-ylindole (CID 67372498) is 1-(4-chlorophenyl)-2-piperazin-1-ylindole.
What is the SMILES notation for 1-(4-chlorophenyl)-2-piperazin-1-ylindole?
The canonical SMILES for 1-(4-chlorophenyl)-2-piperazin-1-ylindole is Clc1ccc(-n2c(N3CCNCC3)cc3ccccc32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-piperazin-1-ylindole?
The InChIKey is GURGUNZQRDIMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3/c19-15-5-7-16(8-6-15)22-17-4-2-1-3-14(17)13-18(22)21-11-9-20-10-12-21/h1-8,13,20H,9-12H2.
What are the key properties of 1-(4-chlorophenyl)-2-piperazin-1-ylindole?
1-(4-chlorophenyl)-2-piperazin-1-ylindole has a molecular weight of 311.82 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-piperazin-1-ylindole is sourced from PubChem (CID 67372498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).