2-(1-fluoropropyl)-1-phenylpiperazine

C13H19FN2 — CID 140967600

IUPAC2-(1-fluoropropyl)-1-phenylpiperazine
SMILESCCC(F)C1CNCCN1c1ccccc1
InChIInChI=1S/C13H19FN2/c1-2-12(14)13-10-15-8-9-16(13)11-6-4-3-5-7-11/h3-7,12-13,15H,2,8-10H2,1H3
InChIKeySEJBNMUNTWUIMM-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.21
Rot. Bonds3

About 2-(1-fluoropropyl)-1-phenylpiperazine

2-(1-fluoropropyl)-1-phenylpiperazine (PubChem CID 140967600) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(1-fluoropropyl)-1-phenylpiperazine.

Molecular Properties

Compound Name2-(1-fluoropropyl)-1-phenylpiperazine
PubChem CID140967600
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-(1-fluoropropyl)-1-phenylpiperazine
SMILESCCC(F)C1CNCCN1c1ccccc1
InChIInChI=1S/C13H19FN2/c1-2-12(14)13-10-15-8-9-16(13)11-6-4-3-5-7-11/h3-7,12-13,15H,2,8-10H2,1H3
InChIKeySEJBNMUNTWUIMM-UHFFFAOYSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-phenylpiperazin-2-yl)ethanol
CID 70356757
1-phenyl-2-propylpiperazine
CID 70549920
2-(1-chloroprop-2-enyl)-1-phenylpiperazine
CID 175377138
[(2R)-1-phenylpiperazin-2-yl]methanol
CID 139491913
1,2-diphenylpiperazine;propan-1-ol
CID 174486026
2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine
CID 64938811
2-(2,4-dimethylphenyl)sulfanyl-1-phenylpiperazine
CID 68794978
2-(1-hydroxypropyl)-1-phenylpiperidin-4-ol
CID 67110983
1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine
CID 64937086
4-(1-phenylpiperazin-2-yl)benzonitrile
CID 54309593
(2S)-2-methyl-1-phenyl-1,4-diazocane
CID 124706685
2-propan-2-yl-1-(3,4,5-trifluorophenyl)piperazine
CID 64930921

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoropropyl)-1-phenylpiperazine?
The IUPAC name of 2-(1-fluoropropyl)-1-phenylpiperazine (CID 140967600) is 2-(1-fluoropropyl)-1-phenylpiperazine.
What is the SMILES notation for 2-(1-fluoropropyl)-1-phenylpiperazine?
The canonical SMILES for 2-(1-fluoropropyl)-1-phenylpiperazine is CCC(F)C1CNCCN1c1ccccc1.
What is the InChIKey of 2-(1-fluoropropyl)-1-phenylpiperazine?
The InChIKey is SEJBNMUNTWUIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-2-12(14)13-10-15-8-9-16(13)11-6-4-3-5-7-11/h3-7,12-13,15H,2,8-10H2,1H3.
What are the key properties of 2-(1-fluoropropyl)-1-phenylpiperazine?
2-(1-fluoropropyl)-1-phenylpiperazine has a molecular weight of 222.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoropropyl)-1-phenylpiperazine is sourced from PubChem (CID 140967600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).