1-[4-(3-fluoropropyl)phenyl]piperazine

C13H19FN2 — CID 59470555

IUPAC1-[4-(3-fluoropropyl)phenyl]piperazine
SMILESFCCCc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H19FN2/c14-7-1-2-12-3-5-13(6-4-12)16-10-8-15-9-11-16/h3-6,15H,1-2,7-11H2
InChIKeyUYXNEUAXAWQCID-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.00
Rot. Bonds4

About 1-[4-(3-fluoropropyl)phenyl]piperazine

1-[4-(3-fluoropropyl)phenyl]piperazine (PubChem CID 59470555) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-[4-(3-fluoropropyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-(3-fluoropropyl)phenyl]piperazine
PubChem CID59470555
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-[4-(3-fluoropropyl)phenyl]piperazine
SMILESFCCCc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H19FN2/c14-7-1-2-12-3-5-13(6-4-12)16-10-8-15-9-11-16/h3-6,15H,1-2,7-11H2
InChIKeyUYXNEUAXAWQCID-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine
CID 135188571
1-[4-(2-methoxyethyl)phenyl]piperazine
CID 170986156
1-(4-benzylphenyl)piperazine
CID 4738749
1-[4-[(4-iodophenyl)methyl]phenyl]piperazine
CID 4738775
1-[4-(4-ethylphenyl)phenyl]piperazine
CID 82092038
tert-butyl formate;2-(4-piperazin-1-ylphenyl)ethanamine
CID 174927711
azane;1-(4-fluorophenyl)piperazine;platinum;dihydrochloride
CID 71542549
3-[4-(azepan-1-yl)phenyl]propan-1-amine
CID 28806979
(4-piperazin-1-ylphenyl)methanesulfinic acid
CID 174675760
1-[4-(2-fluoroethoxy)phenyl]-1,4-diazepane
CID 80693994
1-[4-[(4-methylsulfanylphenyl)methyl]phenyl]piperazine
CID 4739565
4-piperazin-1-ylphenol;dihydrobromide
CID 2723591

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoropropyl)phenyl]piperazine?
The IUPAC name of 1-[4-(3-fluoropropyl)phenyl]piperazine (CID 59470555) is 1-[4-(3-fluoropropyl)phenyl]piperazine.
What is the SMILES notation for 1-[4-(3-fluoropropyl)phenyl]piperazine?
The canonical SMILES for 1-[4-(3-fluoropropyl)phenyl]piperazine is FCCCc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-[4-(3-fluoropropyl)phenyl]piperazine?
The InChIKey is UYXNEUAXAWQCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c14-7-1-2-12-3-5-13(6-4-12)16-10-8-15-9-11-16/h3-6,15H,1-2,7-11H2.
What are the key properties of 1-[4-(3-fluoropropyl)phenyl]piperazine?
1-[4-(3-fluoropropyl)phenyl]piperazine has a molecular weight of 222.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoropropyl)phenyl]piperazine is sourced from PubChem (CID 59470555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).