1-[2-(2-fluorophenyl)-3-methylbutyl]piperazine

C15H23FN2 — CID 82131506

IUPAC1-[2-(2-fluorophenyl)-3-methylbutyl]piperazine
SMILESCC(C)C(CN1CCNCC1)c1ccccc1F
InChIInChI=1S/C15H23FN2/c1-12(2)14(11-18-9-7-17-8-10-18)13-5-3-4-6-15(13)16/h3-6,12,14,17H,7-11H2,1-2H3
InChIKeyFHMJJTVLLGRNRM-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.47
Rot. Bonds4

About 1-[2-(2-fluorophenyl)-3-methylbutyl]piperazine

1-[2-(2-fluorophenyl)-3-methylbutyl]piperazine (PubChem CID 82131506) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-3-methylbutyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-3-methylbutyl]piperazine
PubChem CID82131506
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-[2-(2-fluorophenyl)-3-methylbutyl]piperazine
SMILESCC(C)C(CN1CCNCC1)c1ccccc1F
InChIInChI=1S/C15H23FN2/c1-12(2)14(11-18-9-7-17-8-10-18)13-5-3-4-6-15(13)16/h3-6,12,14,17H,7-11H2,1-2H3
InChIKeyFHMJJTVLLGRNRM-UHFFFAOYSA-N
XLogP2.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 116960892
2-(1-piperazin-1-ylpropan-2-yl)phenol
CID 83837907
1-[2-(2-methylphenyl)propyl]piperazine
CID 82509211
1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine
CID 116939924
1-[2-(2,5-difluorophenyl)propyl]piperazine
CID 82292755
1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273226
1-(2-naphthalen-1-ylpropyl)piperazine
CID 116964774
1-(3-methyl-2-phenylpentyl)piperazine
CID 62488695
1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane
CID 3818846
1-(1-chloro-3-methylbutan-2-yl)-2-fluorobenzene
CID 79019767
1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285841
1-[(2S)-2-fluoro-2-(2-methoxyphenyl)ethyl]piperazine
CID 129493112

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-3-methylbutyl]piperazine?
The IUPAC name of 1-[2-(2-fluorophenyl)-3-methylbutyl]piperazine (CID 82131506) is 1-[2-(2-fluorophenyl)-3-methylbutyl]piperazine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-3-methylbutyl]piperazine?
The canonical SMILES for 1-[2-(2-fluorophenyl)-3-methylbutyl]piperazine is CC(C)C(CN1CCNCC1)c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)-3-methylbutyl]piperazine?
The InChIKey is FHMJJTVLLGRNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12(2)14(11-18-9-7-17-8-10-18)13-5-3-4-6-15(13)16/h3-6,12,14,17H,7-11H2,1-2H3.
What are the key properties of 1-[2-(2-fluorophenyl)-3-methylbutyl]piperazine?
1-[2-(2-fluorophenyl)-3-methylbutyl]piperazine has a molecular weight of 250.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-3-methylbutyl]piperazine is sourced from PubChem (CID 82131506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).