4-(3,3,3-trifluoropropyl)piperidine

C8H14F3N — CID 83914999

IUPAC4-(3,3,3-trifluoropropyl)piperidine
SMILESFC(F)(F)CCC1CCNCC1
InChIInChI=1S/C8H14F3N/c9-8(10,11)4-1-7-2-5-12-6-3-7/h7,12H,1-6H2
InChIKeyKELABAWMRUGVFF-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.33
Rot. Bonds2

About 4-(3,3,3-trifluoropropyl)piperidine

4-(3,3,3-trifluoropropyl)piperidine (PubChem CID 83914999) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropyl)piperidine.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropyl)piperidine
PubChem CID83914999
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name4-(3,3,3-trifluoropropyl)piperidine
SMILESFC(F)(F)CCC1CCNCC1
InChIInChI=1S/C8H14F3N/c9-8(10,11)4-1-7-2-5-12-6-3-7/h7,12H,1-6H2
InChIKeyKELABAWMRUGVFF-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3,3,3-trifluoropropyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Propylpiperidine
CID 31169
3-Ethylpiperidine
CID 202966
4-(Trifluoromethyl)piperidine
CID 136469
3-(Trifluoromethyl)piperidine
CID 2760776
4-(Trifluoromethyl)piperidine hydrochloride
CID 16218160
(S)-3-(Trifluoromethyl)piperidine
CID 7062692
3,5-Bis(trifluoromethyl)piperidine
CID 10036439
[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methanamine
CID 18425514
4-(Fluoromethyl)piperidine hydrochloride
CID 23110104
3-(Fluoromethyl)piperidine hydrochloride
CID 49761297
rac-(2R,4S)-4-methyl-2-(trifluoromethyl)piperidine
CID 52810925
4-(Difluoromethyl)piperidine hydrochloride
CID 53346560

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropyl)piperidine?
The IUPAC name of 4-(3,3,3-trifluoropropyl)piperidine (CID 83914999) is 4-(3,3,3-trifluoropropyl)piperidine.
What is the SMILES notation for 4-(3,3,3-trifluoropropyl)piperidine?
The canonical SMILES for 4-(3,3,3-trifluoropropyl)piperidine is FC(F)(F)CCC1CCNCC1.
What is the InChIKey of 4-(3,3,3-trifluoropropyl)piperidine?
The InChIKey is KELABAWMRUGVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c9-8(10,11)4-1-7-2-5-12-6-3-7/h7,12H,1-6H2.
What are the key properties of 4-(3,3,3-trifluoropropyl)piperidine?
4-(3,3,3-trifluoropropyl)piperidine has a molecular weight of 181.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropyl)piperidine is sourced from PubChem (CID 83914999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).