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

C18H20ClFN2 — CID 3133648

IUPAC1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
SMILESFc1cccc(CN2CCN(Cc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C18H20ClFN2/c19-17-5-1-3-15(11-17)13-21-7-9-22(10-8-21)14-16-4-2-6-18(20)12-16/h1-6,11-12H,7-10,13-14H2
InChIKeyULMGOTYWIFEBGV-UHFFFAOYSA-N
MW318.82 g/mol
LogP3.80
Rot. Bonds4

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

1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine (PubChem CID 3133648) has the molecular formula C18H20ClFN2 and a molecular weight of 318.82 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
PubChem CID3133648
Molecular FormulaC18H20ClFN2
Molecular Weight318.82 g/mol
Exact Mass318.13
IUPAC Name1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
SMILESFc1cccc(CN2CCN(Cc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C18H20ClFN2/c19-17-5-1-3-15(11-17)13-21-7-9-22(10-8-21)14-16-4-2-6-18(20)12-16/h1-6,11-12H,7-10,13-14H2
InChIKeyULMGOTYWIFEBGV-UHFFFAOYSA-N
XLogP3.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.82
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine
CID 22194447
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
1-(2-bromoethyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 80675337
1-(2-chloroethyl)-4-[(3-fluorophenyl)methyl]-1,4-diazepane
CID 63387530
1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine
CID 138041794
1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
CID 9443809
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843
1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperazine;oxalic acid
CID 2874542
4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide
CID 47147073

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine (CID 3133648) is 1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine is Fc1cccc(CN2CCN(Cc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine?
The InChIKey is ULMGOTYWIFEBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2/c19-17-5-1-3-15(11-17)13-21-7-9-22(10-8-21)14-16-4-2-6-18(20)12-16/h1-6,11-12H,7-10,13-14H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine?
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine has a molecular weight of 318.82 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 3133648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).