1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine

C18H18Cl2F2N2 — CID 22195379

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCN(Cc3c(F)cccc3Cl)CC2)cc1Cl
InChIInChI=1S/C18H18Cl2F2N2/c19-15-2-1-3-17(21)14(15)12-24-8-6-23(7-9-24)11-13-4-5-18(22)16(20)10-13/h1-5,10H,6-9,11-12H2
InChIKeyNWDVNYTUBZTVIS-UHFFFAOYSA-N
MW371.26 g/mol
LogP4.59
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine

1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine (PubChem CID 22195379) has the molecular formula C18H18Cl2F2N2 and a molecular weight of 371.26 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine
PubChem CID22195379
Molecular FormulaC18H18Cl2F2N2
Molecular Weight371.26 g/mol
Exact Mass370.08
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCN(Cc3c(F)cccc3Cl)CC2)cc1Cl
InChIInChI=1S/C18H18Cl2F2N2/c19-15-2-1-3-17(21)14(15)12-24-8-6-23(7-9-24)11-13-4-5-18(22)16(20)10-13/h1-5,10H,6-9,11-12H2
InChIKeyNWDVNYTUBZTVIS-UHFFFAOYSA-N
XLogP4.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22195537
1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716
1-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 71174684
1-(2-chloroethyl)-4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepane
CID 63387643
1-(2-chloroethyl)-4-[(3-chloro-4-fluorophenyl)methyl]-1,4-diazepane
CID 103041322
1-[(2-chloro-6-fluorophenyl)methyl]-1,5-diazocane
CID 95049087
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 19329498
1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 22195534
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 171701588
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 22195536
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 47035132

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine (CID 22195379) is 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine is Fc1ccc(CN2CCN(Cc3c(F)cccc3Cl)CC2)cc1Cl.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine?
The InChIKey is NWDVNYTUBZTVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2F2N2/c19-15-2-1-3-17(21)14(15)12-24-8-6-23(7-9-24)11-13-4-5-18(22)16(20)10-13/h1-5,10H,6-9,11-12H2.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine?
1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine has a molecular weight of 371.26 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 22195379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).