1-[(4-fluoro-3-phenylphenyl)methyl]piperazine

C17H19FN2 — CID 117429281

IUPAC1-[(4-fluoro-3-phenylphenyl)methyl]piperazine
SMILESFc1ccc(CN2CCNCC2)cc1-c1ccccc1
InChIInChI=1S/C17H19FN2/c18-17-7-6-14(13-20-10-8-19-9-11-20)12-16(17)15-4-2-1-3-5-15/h1-7,12,19H,8-11,13H2
InChIKeyPZQTWSPOTZMEJM-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.90
Rot. Bonds3

About 1-[(4-fluoro-3-phenylphenyl)methyl]piperazine

1-[(4-fluoro-3-phenylphenyl)methyl]piperazine (PubChem CID 117429281) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-[(4-fluoro-3-phenylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-fluoro-3-phenylphenyl)methyl]piperazine
PubChem CID117429281
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name1-[(4-fluoro-3-phenylphenyl)methyl]piperazine
SMILESFc1ccc(CN2CCNCC2)cc1-c1ccccc1
InChIInChI=1S/C17H19FN2/c18-17-7-6-14(13-20-10-8-19-9-11-20)12-16(17)15-4-2-1-3-5-15/h1-7,12,19H,8-11,13H2
InChIKeyPZQTWSPOTZMEJM-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methyl-3-phenylphenyl)methyl]piperazine
CID 117420356
1-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
azane;1-benzylpiperazine
CID 174866973
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
[3-(piperazin-1-ylmethyl)phenyl]methanol
CID 23023149
1-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 82092036
1-[(2-methyl-3,4-diphenylphenyl)methyl]piperazine
CID 67427355
1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 138985666
1-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 15634377
N-benzyl-4-fluoro-N-[[4-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzenesulfonamide
CID 46886359
1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine
CID 84753167

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-phenylphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-fluoro-3-phenylphenyl)methyl]piperazine (CID 117429281) is 1-[(4-fluoro-3-phenylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-fluoro-3-phenylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-fluoro-3-phenylphenyl)methyl]piperazine is Fc1ccc(CN2CCNCC2)cc1-c1ccccc1.
What is the InChIKey of 1-[(4-fluoro-3-phenylphenyl)methyl]piperazine?
The InChIKey is PZQTWSPOTZMEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c18-17-7-6-14(13-20-10-8-19-9-11-20)12-16(17)15-4-2-1-3-5-15/h1-7,12,19H,8-11,13H2.
What are the key properties of 1-[(4-fluoro-3-phenylphenyl)methyl]piperazine?
1-[(4-fluoro-3-phenylphenyl)methyl]piperazine has a molecular weight of 270.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-phenylphenyl)methyl]piperazine is sourced from PubChem (CID 117429281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).