1-(cyclopropylmethyl)-4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperazine

C15H18F4N2O2S — CID 133283739

IUPAC1-(cyclopropylmethyl)-4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperazine
SMILESO=S(=O)(c1cc(F)ccc1N1CCN(CC2CC2)CC1)C(F)(F)F
InChIInChI=1S/C15H18F4N2O2S/c16-12-3-4-13(14(9-12)24(22,23)15(17,18)19)21-7-5-20(6-8-21)10-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2
InChIKeyOGUXPJHTYFJJDH-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.65
Rot. Bonds4

About 1-(cyclopropylmethyl)-4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperazine

1-(cyclopropylmethyl)-4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperazine (PubChem CID 133283739) has the molecular formula C15H18F4N2O2S and a molecular weight of 366.38 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperazine
PubChem CID133283739
Molecular FormulaC15H18F4N2O2S
Molecular Weight366.38 g/mol
Exact Mass366.10
IUPAC Name1-(cyclopropylmethyl)-4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperazine
SMILESO=S(=O)(c1cc(F)ccc1N1CCN(CC2CC2)CC1)C(F)(F)F
InChIInChI=1S/C15H18F4N2O2S/c16-12-3-4-13(14(9-12)24(22,23)15(17,18)19)21-7-5-20(6-8-21)10-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2
InChIKeyOGUXPJHTYFJJDH-UHFFFAOYSA-N
XLogP2.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperazine?
The IUPAC name of 1-(cyclopropylmethyl)-4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperazine (CID 133283739) is 1-(cyclopropylmethyl)-4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperazine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperazine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperazine is O=S(=O)(c1cc(F)ccc1N1CCN(CC2CC2)CC1)C(F)(F)F.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperazine?
The InChIKey is OGUXPJHTYFJJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4N2O2S/c16-12-3-4-13(14(9-12)24(22,23)15(17,18)19)21-7-5-20(6-8-21)10-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2.
What are the key properties of 1-(cyclopropylmethyl)-4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperazine?
1-(cyclopropylmethyl)-4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperazine has a molecular weight of 366.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperazine is sourced from PubChem (CID 133283739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).