[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanol

C10H18F3NO2 — CID 61327950

IUPAC[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8-16-6-5-14-4-2-1-3-9(14)7-15/h9,15H,1-8H2
InChIKeyMJJKLUSOCQFWSN-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.41
Rot. Bonds5

About [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanol

[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanol (PubChem CID 61327950) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanol
PubChem CID61327950
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8-16-6-5-14-4-2-1-3-9(14)7-15/h9,15H,1-8H2
InChIKeyMJJKLUSOCQFWSN-UHFFFAOYSA-N
XLogP1.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5,5-Difluoro-1-methylpiperidin-2-yl)methanol
CID 55296927
4-Morpholinehexanol
CID 22218504
1,1,1-Trifluoro-3-[oxan-2-ylmethyl(propan-2-yl)amino]propan-2-ol
CID 75507584
4-[6-(2,2-Difluoropropoxy)hexyl]morpholine
CID 58341567
4,4,6,6,7,7,7-Heptafluoro-1-morpholin-4-ylheptan-2-ol
CID 58855373
4,4,6,6,7,7,8,8,9,9,9-Undecafluoro-1-morpholin-4-ylnonan-2-ol
CID 58855406
4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-Pentadecafluoro-1-morpholin-4-ylundecan-2-ol
CID 58855426
[1-(2,2,2-Trifluoroethyl)piperidin-2-yl]methanol
CID 60774899
[1-(2,2-Difluoroethyl)piperidin-2-yl]methanol
CID 62022333
1-Morpholino-4,4,5,5,6,6,7,7,7-nonafluoro-2-heptanol
CID 86612009
4,4,7,7,9,9,9-Heptafluoro-1-morpholin-4-ylnonan-2-ol
CID 89623752
4,4,7,7,9,9,10,10,11,11,11-Undecafluoro-1-morpholin-4-ylundecan-2-ol
CID 89623754

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanol (CID 61327950) is [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanol is OCC1CCCCN1CCOCC(F)(F)F.
What is the InChIKey of [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanol?
The InChIKey is MJJKLUSOCQFWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)8-16-6-5-14-4-2-1-3-9(14)7-15/h9,15H,1-8H2.
What are the key properties of [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanol?
[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanol has a molecular weight of 241.25 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 61327950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).