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

C17H18ClFN2 — CID 763195

IUPAC1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C17H18ClFN2/c18-15-2-1-3-17(12-15)21-10-8-20(9-11-21)13-14-4-6-16(19)7-5-14/h1-7,12H,8-11,13H2
InChIKeyDISCJXITPKNFOS-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.80
Rot. Bonds3

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

1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine (PubChem CID 763195) has the molecular formula C17H18ClFN2 and a molecular weight of 304.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
PubChem CID763195
Molecular FormulaC17H18ClFN2
Molecular Weight304.80 g/mol
Exact Mass304.11
IUPAC Name1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C17H18ClFN2/c18-15-2-1-3-17(12-15)21-10-8-20(9-11-21)13-14-4-6-16(19)7-5-14/h1-7,12H,8-11,13H2
InChIKeyDISCJXITPKNFOS-UHFFFAOYSA-N
XLogP3.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid
CID 20991836
1-(3-chlorophenyl)-4-[[3-(4-fluorophenyl)-3H-pyrazol-4-yl]methyl]piperazine
CID 163825319
1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine
CID 62047060
1-[(4-butoxyphenyl)methyl]-4-(3-chlorophenyl)piperazine
CID 2244902
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
CID 171909306
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)-5-methyl-1,3-oxazole
CID 42094310
1-(4-bromo-3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 174687626
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
1-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 87015648
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine (CID 763195) is 1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine is Fc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine?
The InChIKey is DISCJXITPKNFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2/c18-15-2-1-3-17(12-15)21-10-8-20(9-11-21)13-14-4-6-16(19)7-5-14/h1-7,12H,8-11,13H2.
What are the key properties of 1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine?
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine has a molecular weight of 304.80 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 763195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).