1-(3-fluoropropyl)-2-phenylpiperazine

C13H19FN2 — CID 81114300

IUPAC1-(3-fluoropropyl)-2-phenylpiperazine
SMILESFCCCN1CCNCC1c1ccccc1
InChIInChI=1S/C13H19FN2/c14-7-4-9-16-10-8-15-11-13(16)12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2
InChIKeyBNIOBHBTKMJXJN-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.99
Rot. Bonds4

About 1-(3-fluoropropyl)-2-phenylpiperazine

1-(3-fluoropropyl)-2-phenylpiperazine (PubChem CID 81114300) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2-phenylpiperazine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2-phenylpiperazine
PubChem CID81114300
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-(3-fluoropropyl)-2-phenylpiperazine
SMILESFCCCN1CCNCC1c1ccccc1
InChIInChI=1S/C13H19FN2/c14-7-4-9-16-10-8-15-11-13(16)12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2
InChIKeyBNIOBHBTKMJXJN-UHFFFAOYSA-N
XLogP1.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxypropyl)-2-phenylpiperazine
CID 64938444
1-(7-methyloctyl)-2-phenylpiperazine
CID 107818420
2-benzyl-1-(3-fluoropropyl)piperazine
CID 81114655
trimethyl-[(2-phenylpiperazin-1-yl)methyl]silane
CID 10444724
2-phenyl-1-propyl-1,4-diazepane
CID 82242016
1-(cyclopentylmethyl)-2-phenylpiperazine
CID 64832948
1-(cyclobutylmethyl)-2-phenylpiperazine
CID 64936519
2-(2-pyridin-3-ylpiperazin-1-yl)ethanamine
CID 120754253
1-[(4-bromo-2-fluorophenyl)methyl]-2-phenylpiperazine
CID 64834543
5-methyl-3-[2-(2-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106421514
(2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine
CID 124660620
1-[(1-ethylcyclopropyl)methyl]-2-phenylpiperazine
CID 114102162

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-2-phenylpiperazine?
The IUPAC name of 1-(3-fluoropropyl)-2-phenylpiperazine (CID 81114300) is 1-(3-fluoropropyl)-2-phenylpiperazine.
What is the SMILES notation for 1-(3-fluoropropyl)-2-phenylpiperazine?
The canonical SMILES for 1-(3-fluoropropyl)-2-phenylpiperazine is FCCCN1CCNCC1c1ccccc1.
What is the InChIKey of 1-(3-fluoropropyl)-2-phenylpiperazine?
The InChIKey is BNIOBHBTKMJXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c14-7-4-9-16-10-8-15-11-13(16)12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2.
What are the key properties of 1-(3-fluoropropyl)-2-phenylpiperazine?
1-(3-fluoropropyl)-2-phenylpiperazine has a molecular weight of 222.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2-phenylpiperazine is sourced from PubChem (CID 81114300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).