3-propan-2-yl-1-(trifluoromethylsulfonyl)piperidine

C9H16F3NO2S — CID 58689229

IUPAC3-propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
SMILESCC(C)C1CCCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO2S/c1-7(2)8-4-3-5-13(6-8)16(14,15)9(10,11)12/h7-8H,3-6H2,1-2H3
InChIKeyNHFDHBUQMXYHBT-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.20
Rot. Bonds2

About 3-propan-2-yl-1-(trifluoromethylsulfonyl)piperidine

3-propan-2-yl-1-(trifluoromethylsulfonyl)piperidine (PubChem CID 58689229) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 3-propan-2-yl-1-(trifluoromethylsulfonyl)piperidine.

Molecular Properties

Compound Name3-propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
PubChem CID58689229
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC Name3-propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
SMILESCC(C)C1CCCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO2S/c1-7(2)8-4-3-5-13(6-8)16(14,15)9(10,11)12/h7-8H,3-6H2,1-2H3
InChIKeyNHFDHBUQMXYHBT-UHFFFAOYSA-N
XLogP2.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Methylsulfonyl)-3-(trifluoromethyl)piperidine
CID 3646972
4-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 20782490
3,5-Dimethyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227866
3-Methyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227876
4-Tert-butyl-1-(trifluoromethylsulfonyl)piperidine
CID 58394662
4-Methyl-1-(trifluoromethylsulfonyl)piperidine
CID 59862807
4-Propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 59921674
1-Methylsulfonyl-4-(trifluoromethyl)piperidine
CID 65545889
3,5-Diethyl-1-(trifluoromethylsulfonyl)piperidine
CID 67670672
4-Ethyl-1-(trifluoromethylsulfonyl)piperidine
CID 68261275
4-Methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine
CID 71114479
4-Methyl-1-(1,1,2,2-tetrafluoropropylsulfonyl)piperidine
CID 88854828

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(trifluoromethylsulfonyl)piperidine?
The IUPAC name of 3-propan-2-yl-1-(trifluoromethylsulfonyl)piperidine (CID 58689229) is 3-propan-2-yl-1-(trifluoromethylsulfonyl)piperidine.
What is the SMILES notation for 3-propan-2-yl-1-(trifluoromethylsulfonyl)piperidine?
The canonical SMILES for 3-propan-2-yl-1-(trifluoromethylsulfonyl)piperidine is CC(C)C1CCCN(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of 3-propan-2-yl-1-(trifluoromethylsulfonyl)piperidine?
The InChIKey is NHFDHBUQMXYHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c1-7(2)8-4-3-5-13(6-8)16(14,15)9(10,11)12/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-(trifluoromethylsulfonyl)piperidine?
3-propan-2-yl-1-(trifluoromethylsulfonyl)piperidine has a molecular weight of 259.29 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(trifluoromethylsulfonyl)piperidine is sourced from PubChem (CID 58689229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).