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

C18H19Cl2FN2 — CID 22194447

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)c(Cl)c1
InChIInChI=1S/C18H19Cl2FN2/c19-16-3-1-2-14(10-16)12-22-6-8-23(9-7-22)13-15-4-5-17(21)11-18(15)20/h1-5,10-11H,6-9,12-13H2
InChIKeyQKNKAZJBVLRUSD-UHFFFAOYSA-N
MW353.27 g/mol
LogP4.45
Rot. Bonds4

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

1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine (PubChem CID 22194447) has the molecular formula C18H19Cl2FN2 and a molecular weight of 353.27 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine
PubChem CID22194447
Molecular FormulaC18H19Cl2FN2
Molecular Weight353.27 g/mol
Exact Mass352.09
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)c(Cl)c1
InChIInChI=1S/C18H19Cl2FN2/c19-16-3-1-2-14(10-16)12-22-6-8-23(9-7-22)13-15-4-5-17(21)11-18(15)20/h1-5,10-11H,6-9,12-13H2
InChIKeyQKNKAZJBVLRUSD-UHFFFAOYSA-N
XLogP4.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
2-[(2-chloro-4-fluorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 53371917
1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 7026318
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-[(2-chloro-4-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 45366948
(2R)-N-(2-chloro-4-fluorophenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide
CID 9258269
1-(benzenesulfonyl)-4-[(2-chloro-4-fluorophenyl)methyl]piperazine
CID 22204929
1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 22199130
1-(2-bromoethyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 80675337
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195
2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
CID 63496703

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine (CID 22194447) is 1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine is Fc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine?
The InChIKey is QKNKAZJBVLRUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2FN2/c19-16-3-1-2-14(10-16)12-22-6-8-23(9-7-22)13-15-4-5-17(21)11-18(15)20/h1-5,10-11H,6-9,12-13H2.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine?
1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine has a molecular weight of 353.27 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine is sourced from PubChem (CID 22194447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).