4-[5-(2,2,2-trifluoroethoxy)pentyl]piperidine

C12H22F3NO — CID 142825207

IUPAC4-[5-(2,2,2-trifluoroethoxy)pentyl]piperidine
SMILESFC(F)(F)COCCCCCC1CCNCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)10-17-9-3-1-2-4-11-5-7-16-8-6-11/h11,16H,1-10H2
InChIKeyIVYRVGVIHPNXHF-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.13
Rot. Bonds7

About 4-[5-(2,2,2-trifluoroethoxy)pentyl]piperidine

4-[5-(2,2,2-trifluoroethoxy)pentyl]piperidine (PubChem CID 142825207) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[5-(2,2,2-trifluoroethoxy)pentyl]piperidine.

Molecular Properties

Compound Name4-[5-(2,2,2-trifluoroethoxy)pentyl]piperidine
PubChem CID142825207
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name4-[5-(2,2,2-trifluoroethoxy)pentyl]piperidine
SMILESFC(F)(F)COCCCCCC1CCNCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)10-17-9-3-1-2-4-11-5-7-16-8-6-11/h11,16H,1-10H2
InChIKeyIVYRVGVIHPNXHF-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-((Oxan-3-yl)methyl)piperidine hydrochloride
CID 137951570
2-Cyclohexyl-2-fluoromorpholine
CID 67943994
11-(2,2,2-Trifluoroethoxy)-3-azaspiro[5.5]undecane
CID 89704684
4-Fluoro-4-(oxan-4-ylmethyl)piperidine
CID 112563080
4-[3-(4,4,4-Trifluorobutoxy)propyl]piperidine
CID 143045251
4-[4-(4,4,4-Trifluorobutoxy)butyl]piperidine
CID 143045350
N-butyl-5,5-difluoro-6-methoxy-4,7-dimethyloctan-1-amine
CID 146228722
3-[4-(Trifluoromethyl)cyclohexyl]morpholine
CID 149088087
3,3-Difluoro-4-[1-(oxan-3-yl)propan-2-yl]pyrrolidine
CID 156072219
(3S)-3-[4-(trifluoromethyl)cyclohexyl]morpholine
CID 156872282
3,3-Difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine
CID 170414141
3,3-Difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen
CID 171531442

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,2,2-trifluoroethoxy)pentyl]piperidine?
The IUPAC name of 4-[5-(2,2,2-trifluoroethoxy)pentyl]piperidine (CID 142825207) is 4-[5-(2,2,2-trifluoroethoxy)pentyl]piperidine.
What is the SMILES notation for 4-[5-(2,2,2-trifluoroethoxy)pentyl]piperidine?
The canonical SMILES for 4-[5-(2,2,2-trifluoroethoxy)pentyl]piperidine is FC(F)(F)COCCCCCC1CCNCC1.
What is the InChIKey of 4-[5-(2,2,2-trifluoroethoxy)pentyl]piperidine?
The InChIKey is IVYRVGVIHPNXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c13-12(14,15)10-17-9-3-1-2-4-11-5-7-16-8-6-11/h11,16H,1-10H2.
What are the key properties of 4-[5-(2,2,2-trifluoroethoxy)pentyl]piperidine?
4-[5-(2,2,2-trifluoroethoxy)pentyl]piperidine has a molecular weight of 253.31 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,2,2-trifluoroethoxy)pentyl]piperidine is sourced from PubChem (CID 142825207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).