[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanol

C11H20F3NO2 — CID 61355392

IUPAC[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-17-7-3-6-15-5-2-1-4-10(15)8-16/h10,16H,1-9H2
InChIKeyVIPLPVZMGZZQQD-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.80
Rot. Bonds6

About [1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanol

[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanol (PubChem CID 61355392) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is [1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanol
PubChem CID61355392
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-17-7-3-6-15-5-2-1-4-10(15)8-16/h10,16H,1-9H2
InChIKeyVIPLPVZMGZZQQD-UHFFFAOYSA-N
XLogP1.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.80
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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Frequently Asked Questions

What is the IUPAC name of [1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanol (CID 61355392) is [1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanol is OCC1CCCCN1CCCOCC(F)(F)F.
What is the InChIKey of [1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanol?
The InChIKey is VIPLPVZMGZZQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)9-17-7-3-6-15-5-2-1-4-10(15)8-16/h10,16H,1-9H2.
What are the key properties of [1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanol?
[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanol has a molecular weight of 255.28 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanol is sourced from PubChem (CID 61355392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).