1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine

C18H19Cl3N2 — CID 22195537

IUPAC1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
SMILESClc1ccc(CN2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C18H19Cl3N2/c19-15-6-4-14(5-7-15)12-22-8-10-23(11-9-22)13-16-17(20)2-1-3-18(16)21/h1-7H,8-13H2
InChIKeyWZYAMTBBXJWRLM-UHFFFAOYSA-N
MW369.72 g/mol
LogP4.96
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine

1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine (PubChem CID 22195537) has the molecular formula C18H19Cl3N2 and a molecular weight of 369.72 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
PubChem CID22195537
Molecular FormulaC18H19Cl3N2
Molecular Weight369.72 g/mol
Exact Mass368.06
IUPAC Name1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
SMILESClc1ccc(CN2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C18H19Cl3N2/c19-15-6-4-14(5-7-15)12-22-8-10-23(11-9-22)13-16-17(20)2-1-3-18(16)21/h1-7H,8-13H2
InChIKeyWZYAMTBBXJWRLM-UHFFFAOYSA-N
XLogP4.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.72
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 22195379
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 22195536
1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 22195534
1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,3-dichlorophenyl)methanimine
CID 2143721
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 22195001
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(2,6-dichlorophenyl)methanimine
CID 5343531
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide
CID 47147117
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine (CID 22195537) is 1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine is Clc1ccc(CN2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine?
The InChIKey is WZYAMTBBXJWRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl3N2/c19-15-6-4-14(5-7-15)12-22-8-10-23(11-9-22)13-16-17(20)2-1-3-18(16)21/h1-7H,8-13H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine?
1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine has a molecular weight of 369.72 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine is sourced from PubChem (CID 22195537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).