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

C18H21FN2 — CID 764596

IUPAC1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
SMILESFc1cccc(CN2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C18H21FN2/c19-18-8-4-7-17(13-18)15-21-11-9-20(10-12-21)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2
InChIKeyZNKGOVPCHWWYBM-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.14
Rot. Bonds4

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

1-benzyl-4-[(3-fluorophenyl)methyl]piperazine (PubChem CID 764596) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-benzyl-4-[(3-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
PubChem CID764596
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
SMILESFc1cccc(CN2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C18H21FN2/c19-18-8-4-7-17(13-18)15-21-11-9-20(10-12-21)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2
InChIKeyZNKGOVPCHWWYBM-UHFFFAOYSA-N
XLogP3.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.14
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-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 1361233
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
1-(2-chloroethyl)-4-[(3-fluorophenyl)methyl]-1,4-diazepane
CID 63387530
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;oxalic acid
CID 163326429
5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine
CID 56909083
1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine
CID 138041794
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide
CID 47147073
2-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 62824164
1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine;oxalic acid
CID 90483959

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(3-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(3-fluorophenyl)methyl]piperazine (CID 764596) is 1-benzyl-4-[(3-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(3-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(3-fluorophenyl)methyl]piperazine is Fc1cccc(CN2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-benzyl-4-[(3-fluorophenyl)methyl]piperazine?
The InChIKey is ZNKGOVPCHWWYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c19-18-8-4-7-17(13-18)15-21-11-9-20(10-12-21)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2.
What are the key properties of 1-benzyl-4-[(3-fluorophenyl)methyl]piperazine?
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine has a molecular weight of 284.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(3-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 764596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).