1-fluoro-4-phenylpiperazine

C10H13FN2 — CID 23450926

IUPAC1-fluoro-4-phenylpiperazine
SMILESFN1CCN(c2ccccc2)CC1
InChIInChI=1S/C10H13FN2/c11-13-8-6-12(7-9-13)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyKVUJYCREKTXZPC-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.69
Rot. Bonds1

About 1-fluoro-4-phenylpiperazine

1-fluoro-4-phenylpiperazine (PubChem CID 23450926) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 1-fluoro-4-phenylpiperazine.

Molecular Properties

Compound Name1-fluoro-4-phenylpiperazine
PubChem CID23450926
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name1-fluoro-4-phenylpiperazine
SMILESFN1CCN(c2ccccc2)CC1
InChIInChI=1S/C10H13FN2/c11-13-8-6-12(7-9-13)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyKVUJYCREKTXZPC-UHFFFAOYSA-N
XLogP1.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-(4-phenylphenyl)aziridine
CID 152682568
1-phenyl-4-(1-phenylpiperidin-4-ylidene)piperidine
CID 15946547
N-(4-phenylpiperazin-1-yl)methanimine
CID 66881975
2-[4-(4-phenylpiperazin-1-yl)phenyl]acetonitrile
CID 82537637
4-methylidene-1-phenylpiperidine
CID 58902724
1-(3-fluoro-4-methylphenyl)-4-phenylpiperazine
CID 155276373
1-(3-fluoro-2-pyridinyl)-4-phenylpiperazine
CID 171328537
1-phenyl-4-(3,3,3-trifluoropropyl)piperazine
CID 141293309
1-methanidyl-4-phenylpiperazin-1-ium
CID 20723217
ethane;methanol;1-phenylpiperidine
CID 177175072
2-[4-(4-phenylpiperazin-1-yl)anilino]ethanethiol
CID 112722027
1-[[4-(fluoromethyl)phenyl]methyl]-4-phenylpiperazine
CID 11859050

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-phenylpiperazine?
The IUPAC name of 1-fluoro-4-phenylpiperazine (CID 23450926) is 1-fluoro-4-phenylpiperazine.
What is the SMILES notation for 1-fluoro-4-phenylpiperazine?
The canonical SMILES for 1-fluoro-4-phenylpiperazine is FN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-fluoro-4-phenylpiperazine?
The InChIKey is KVUJYCREKTXZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c11-13-8-6-12(7-9-13)10-4-2-1-3-5-10/h1-5H,6-9H2.
What are the key properties of 1-fluoro-4-phenylpiperazine?
1-fluoro-4-phenylpiperazine has a molecular weight of 180.23 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-phenylpiperazine is sourced from PubChem (CID 23450926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).