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

C18H21FN2 — CID 18703475

IUPAC1-benzyl-3-[(4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CC2CN(Cc3ccccc3)CCN2)cc1
InChIInChI=1S/C18H21FN2/c19-17-8-6-15(7-9-17)12-18-14-21(11-10-20-18)13-16-4-2-1-3-5-16/h1-9,18,20H,10-14H2
InChIKeyWJYQNRDEKLBEKD-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.84
Rot. Bonds4

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

1-benzyl-3-[(4-fluorophenyl)methyl]piperazine (PubChem CID 18703475) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-benzyl-3-[(4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-3-[(4-fluorophenyl)methyl]piperazine
PubChem CID18703475
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-benzyl-3-[(4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CC2CN(Cc3ccccc3)CCN2)cc1
InChIInChI=1S/C18H21FN2/c19-17-8-6-15(7-9-17)12-18-14-21(11-10-20-18)13-16-4-2-1-3-5-16/h1-9,18,20H,10-14H2
InChIKeyWJYQNRDEKLBEKD-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-[(4-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

4-[(3-benzylpiperazin-1-yl)methyl]benzoic acid
CID 53414066
4-[[(2R)-4-benzylpiperazin-2-yl]methyl]benzonitrile
CID 59325125
3-benzyl-1-[(4-methylphenyl)methyl]-1,4-diazepane
CID 82251351
3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 64953194
(3R)-1-benzyl-3-ethylpiperazine
CID 45356982
2-[4-[(3-benzylpiperazin-1-yl)methyl]phenyl]benzonitrile
CID 69056940
3-benzyl-1-[(2-methylphenyl)methyl]piperazine
CID 64834107
3-benzyl-1-(2-phenylethyl)piperazine
CID 64832904
[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride
CID 155487244
3-benzyl-1-(furan-2-ylmethyl)piperazine
CID 64924799
3-[[(3S)-3-benzylpiperazin-1-yl]methyl]benzoic acid;hydrochloride
CID 146013000
3-benzyl-1-(2-methylpropyl)piperazine
CID 64833907

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(4-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-benzyl-3-[(4-fluorophenyl)methyl]piperazine (CID 18703475) is 1-benzyl-3-[(4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-benzyl-3-[(4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-benzyl-3-[(4-fluorophenyl)methyl]piperazine is Fc1ccc(CC2CN(Cc3ccccc3)CCN2)cc1.
What is the InChIKey of 1-benzyl-3-[(4-fluorophenyl)methyl]piperazine?
The InChIKey is WJYQNRDEKLBEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c19-17-8-6-15(7-9-17)12-18-14-21(11-10-20-18)13-16-4-2-1-3-5-16/h1-9,18,20H,10-14H2.
What are the key properties of 1-benzyl-3-[(4-fluorophenyl)methyl]piperazine?
1-benzyl-3-[(4-fluorophenyl)methyl]piperazine has a molecular weight of 284.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 18703475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).