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

C18H21FN2 — CID 3971092

IUPAC1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(C(c2cccc(F)c2)N2CCNCC2)cc1
InChIInChI=1S/C18H21FN2/c1-14-5-7-15(8-6-14)18(21-11-9-20-10-12-21)16-3-2-4-17(19)13-16/h2-8,13,18,20H,9-12H2,1H3
InChIKeySPFABXXASNMYIK-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.13
Rot. Bonds3

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

1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine (PubChem CID 3971092) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine
PubChem CID3971092
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(C(c2cccc(F)c2)N2CCNCC2)cc1
InChIInChI=1S/C18H21FN2/c1-14-5-7-15(8-6-14)18(21-11-9-20-10-12-21)16-3-2-4-17(19)13-16/h2-8,13,18,20H,9-12H2,1H3
InChIKeySPFABXXASNMYIK-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3-fluorophenyl)-(4-methylphenyl)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-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine
CID 5211838
1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine
CID 92754605
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755
1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 92754518
1-[(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 3614145
1-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]-1,4-diazepane
CID 3770388
1-[(3-bromophenyl)-(3-fluorophenyl)methyl]-1,4-diazepane
CID 3682200
1-[(3-chlorophenyl)-(3-fluorophenyl)methyl]-1,4-diazepane
CID 4296958
1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 4646092
1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 171178496
1-[(3-fluorophenyl)-(2-methoxyphenyl)methyl]-1,4-diazepane
CID 3603710
1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine
CID 4738696

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine (CID 3971092) is 1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine is Cc1ccc(C(c2cccc(F)c2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine?
The InChIKey is SPFABXXASNMYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-14-5-7-15(8-6-14)18(21-11-9-20-10-12-21)16-3-2-4-17(19)13-16/h2-8,13,18,20H,9-12H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine?
1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine has a molecular weight of 284.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine is sourced from PubChem (CID 3971092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).