1-[(2S)-3-fluoro-2-methylpropyl]piperazine

C8H17FN2 — CID 45088630

IUPAC1-[(2S)-3-fluoro-2-methylpropyl]piperazine
SMILESCC(CF)CN1CCNCC1
InChIInChI=1S/C8H17FN2/c1-8(6-9)7-11-4-2-10-3-5-11/h8,10H,2-7H2,1H3
InChIKeyOBXIIVOCCZXYIH-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.50
Rot. Bonds3

About 1-[(2S)-3-fluoro-2-methylpropyl]piperazine

1-[(2S)-3-fluoro-2-methylpropyl]piperazine (PubChem CID 45088630) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-[(2S)-3-fluoro-2-methylpropyl]piperazine.

Molecular Properties

Compound Name1-[(2S)-3-fluoro-2-methylpropyl]piperazine
PubChem CID45088630
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name1-[(2S)-3-fluoro-2-methylpropyl]piperazine
SMILESCC(CF)CN1CCNCC1
InChIInChI=1S/C8H17FN2/c1-8(6-9)7-11-4-2-10-3-5-11/h8,10H,2-7H2,1H3
InChIKeyOBXIIVOCCZXYIH-UHFFFAOYSA-N
XLogP0.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Methylpropyl)piperazine
CID 2052052
1-Butylpiperazine
CID 424322
1-[3-(Dimethylamino)propyl]piperazine
CID 2736234
N-(2-(Piperazin-1-yl)ethyl)-N-propylpropan-1-amine
CID 2736329
Methyl(3-(4-methylpiperazin-1-yl)propyl)amine
CID 7219854
1-(3-Methylbutyl)piperazine
CID 10057758
1-Ethyl-3,3-dimethylpiperazine
CID 56924066
1-Tert-butyl-3,3-dimethylpiperazine
CID 57665743
Piperazine, 1-propyl-, hydrochloride (1:2)
CID 415812
1-(3-Diethylaminopropyl)Piperazine
CID 2736106
1-(3-Dipropylaminopropyl)piperazine
CID 2736107
1-Isobutylpiperazine dihydrochloride
CID 2759388

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-fluoro-2-methylpropyl]piperazine?
The IUPAC name of 1-[(2S)-3-fluoro-2-methylpropyl]piperazine (CID 45088630) is 1-[(2S)-3-fluoro-2-methylpropyl]piperazine.
What is the SMILES notation for 1-[(2S)-3-fluoro-2-methylpropyl]piperazine?
The canonical SMILES for 1-[(2S)-3-fluoro-2-methylpropyl]piperazine is CC(CF)CN1CCNCC1.
What is the InChIKey of 1-[(2S)-3-fluoro-2-methylpropyl]piperazine?
The InChIKey is OBXIIVOCCZXYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-8(6-9)7-11-4-2-10-3-5-11/h8,10H,2-7H2,1H3.
What are the key properties of 1-[(2S)-3-fluoro-2-methylpropyl]piperazine?
1-[(2S)-3-fluoro-2-methylpropyl]piperazine has a molecular weight of 160.24 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-fluoro-2-methylpropyl]piperazine is sourced from PubChem (CID 45088630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).