2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole-6-carbonitrile

C20H18Cl2N4 — CID 10643780

IUPAC2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2cc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)[nH]c2c1
InChIInChI=1S/C20H18Cl2N4/c21-18-4-3-17(11-19(18)22)26-7-5-25(6-8-26)13-16-10-15-2-1-14(12-23)9-20(15)24-16/h1-4,9-11,24H,5-8,13H2
InChIKeyQHTTYYWWULUJBN-UHFFFAOYSA-N
MW385.30 g/mol
LogP4.67
Rot. Bonds3

About 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole-6-carbonitrile

2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole-6-carbonitrile (PubChem CID 10643780) has the molecular formula C20H18Cl2N4 and a molecular weight of 385.30 g/mol. Its IUPAC name is 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole-6-carbonitrile
PubChem CID10643780
Molecular FormulaC20H18Cl2N4
Molecular Weight385.30 g/mol
Exact Mass384.09
IUPAC Name2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2cc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)[nH]c2c1
InChIInChI=1S/C20H18Cl2N4/c21-18-4-3-17(11-19(18)22)26-7-5-25(6-8-26)13-16-10-15-2-1-14(12-23)9-20(15)24-16/h1-4,9-11,24H,5-8,13H2
InChIKeyQHTTYYWWULUJBN-UHFFFAOYSA-N
XLogP4.67
TPSA46.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzhydryl-6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 168280315
3-[4-(3,4-Dichloro-phenyl)-piperazin-1-ylmethyl]-1H-indole-5-carbonitrile
CID 9908125
2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-indole-5-carbonitrile
CID 10498094
2-(4-Phenyl-piperazin-1-ylmethyl)-1H-indole-6-carbonitrile
CID 10567430
2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-indole-6-carbonitrile
CID 10594054
3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-indole-5-carbonitrile
CID 10641637
2-[4-(3,4-Dichloro-phenyl)-piperazin-1-ylmethyl]-1H-indole-5-carbonitrile
CID 10833953
N-(3,4-dichlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 23113735
6-chloro-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 57888414
2-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-indole-5-carbonitrile
CID 10831735
8,9-Dichloro-2,11-dimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole
CID 23532180
1h-Indole,5-chloro-2-methyl-3-[1,2,3,6-tetrahydro-1-(phenylmethyl)-4-pyridinyl]-
CID 44403386

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole-6-carbonitrile?
The IUPAC name of 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole-6-carbonitrile (CID 10643780) is 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole-6-carbonitrile.
What is the SMILES notation for 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole-6-carbonitrile?
The canonical SMILES for 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole-6-carbonitrile is N#Cc1ccc2cc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)[nH]c2c1.
What is the InChIKey of 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole-6-carbonitrile?
The InChIKey is QHTTYYWWULUJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4/c21-18-4-3-17(11-19(18)22)26-7-5-25(6-8-26)13-16-10-15-2-1-14(12-23)9-20(15)24-16/h1-4,9-11,24H,5-8,13H2.
What are the key properties of 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole-6-carbonitrile?
2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole-6-carbonitrile has a molecular weight of 385.30 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole-6-carbonitrile is sourced from PubChem (CID 10643780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).