1-[4-(2-fluorophenyl)butan-2-yl]piperazine

C14H21FN2 — CID 82044268

IUPAC1-[4-(2-fluorophenyl)butan-2-yl]piperazine
SMILESCC(CCc1ccccc1F)N1CCNCC1
InChIInChI=1S/C14H21FN2/c1-12(17-10-8-16-9-11-17)6-7-13-4-2-3-5-14(13)15/h2-5,12,16H,6-11H2,1H3
InChIKeyCGQUBJMXVZWZTR-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.05
Rot. Bonds4

About 1-[4-(2-fluorophenyl)butan-2-yl]piperazine

1-[4-(2-fluorophenyl)butan-2-yl]piperazine (PubChem CID 82044268) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)butan-2-yl]piperazine.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)butan-2-yl]piperazine
PubChem CID82044268
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[4-(2-fluorophenyl)butan-2-yl]piperazine
SMILESCC(CCc1ccccc1F)N1CCNCC1
InChIInChI=1S/C14H21FN2/c1-12(17-10-8-16-9-11-17)6-7-13-4-2-3-5-14(13)15/h2-5,12,16H,6-11H2,1H3
InChIKeyCGQUBJMXVZWZTR-UHFFFAOYSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(2-fluorophenyl)butan-2-yl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-chlorophenyl)butan-2-yl]piperazine
CID 82044743
1-[4-(4-propylphenyl)butan-2-yl]piperazine
CID 116931952
1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine
CID 116931963
1-(1,4-diazepan-1-yl)-4-(2-fluorophenyl)-2-methylbutan-1-one;hydrochloride
CID 119415154
1-[4-(5-methylfuran-2-yl)butan-2-yl]piperazine
CID 116931969
4-(2-fluorophenyl)butan-2-ol
CID 12618518
1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine
CID 66202032
1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine
CID 112519407
2-amino-5-(3-piperazin-1-ylbutyl)benzenethiol
CID 116998469
(2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine
CID 93424532
1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 7047274
1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane
CID 3818846

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)butan-2-yl]piperazine?
The IUPAC name of 1-[4-(2-fluorophenyl)butan-2-yl]piperazine (CID 82044268) is 1-[4-(2-fluorophenyl)butan-2-yl]piperazine.
What is the SMILES notation for 1-[4-(2-fluorophenyl)butan-2-yl]piperazine?
The canonical SMILES for 1-[4-(2-fluorophenyl)butan-2-yl]piperazine is CC(CCc1ccccc1F)N1CCNCC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)butan-2-yl]piperazine?
The InChIKey is CGQUBJMXVZWZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-12(17-10-8-16-9-11-17)6-7-13-4-2-3-5-14(13)15/h2-5,12,16H,6-11H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)butan-2-yl]piperazine?
1-[4-(2-fluorophenyl)butan-2-yl]piperazine has a molecular weight of 236.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)butan-2-yl]piperazine is sourced from PubChem (CID 82044268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).