4-(4,4,4-trifluorobutyl)piperidine

C9H16F3N — CID 67060876

IUPAC4-(4,4,4-trifluorobutyl)piperidine
SMILESFC(F)(F)CCCC1CCNCC1
InChIInChI=1S/C9H16F3N/c10-9(11,12)5-1-2-8-3-6-13-7-4-8/h8,13H,1-7H2
InChIKeyKEQWJSNSICZPPV-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.72
Rot. Bonds3

About 4-(4,4,4-trifluorobutyl)piperidine

4-(4,4,4-trifluorobutyl)piperidine (PubChem CID 67060876) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 4-(4,4,4-trifluorobutyl)piperidine.

Molecular Properties

Compound Name4-(4,4,4-trifluorobutyl)piperidine
PubChem CID67060876
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name4-(4,4,4-trifluorobutyl)piperidine
SMILESFC(F)(F)CCCC1CCNCC1
InChIInChI=1S/C9H16F3N/c10-9(11,12)5-1-2-8-3-6-13-7-4-8/h8,13H,1-7H2
InChIKeyKEQWJSNSICZPPV-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Propylpiperidine
CID 31169
4-(Trifluoromethyl)piperidine
CID 136469
3-Propylpiperidine
CID 114550
3-(Trifluoromethyl)piperidine
CID 2760776
4-(Trifluoromethyl)piperidine hydrochloride
CID 16218160
(S)-3-(Trifluoromethyl)piperidine
CID 7062692
3,5-Bis(trifluoromethyl)piperidine
CID 10036439
rac-(2R,4S)-4-methyl-2-(trifluoromethyl)piperidine
CID 52810925
4-(Difluoromethyl)piperidine hydrochloride
CID 53346560
3-(Difluoromethyl)piperidine hydrochloride
CID 53346561
3-(2-Fluoroethyl)piperidine
CID 53409224
3-(Trifluoromethyl)piperidine hydrochloride
CID 68566404

Frequently Asked Questions

What is the IUPAC name of 4-(4,4,4-trifluorobutyl)piperidine?
The IUPAC name of 4-(4,4,4-trifluorobutyl)piperidine (CID 67060876) is 4-(4,4,4-trifluorobutyl)piperidine.
What is the SMILES notation for 4-(4,4,4-trifluorobutyl)piperidine?
The canonical SMILES for 4-(4,4,4-trifluorobutyl)piperidine is FC(F)(F)CCCC1CCNCC1.
What is the InChIKey of 4-(4,4,4-trifluorobutyl)piperidine?
The InChIKey is KEQWJSNSICZPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c10-9(11,12)5-1-2-8-3-6-13-7-4-8/h8,13H,1-7H2.
What are the key properties of 4-(4,4,4-trifluorobutyl)piperidine?
4-(4,4,4-trifluorobutyl)piperidine has a molecular weight of 195.23 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,4-trifluorobutyl)piperidine is sourced from PubChem (CID 67060876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).