2-[1-(2-bromo-3,3,3-trifluoropropyl)piperidin-2-yl]ethanol

C10H17BrF3NO — CID 64758128

IUPAC2-[1-(2-bromo-3,3,3-trifluoropropyl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CC(Br)C(F)(F)F
InChIInChI=1S/C10H17BrF3NO/c11-9(10(12,13)14)7-15-5-2-1-3-8(15)4-6-16/h8-9,16H,1-7H2
InChIKeyJUSIYXKMLLPLIL-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.55
Rot. Bonds4

About 2-[1-(2-bromo-3,3,3-trifluoropropyl)piperidin-2-yl]ethanol

2-[1-(2-bromo-3,3,3-trifluoropropyl)piperidin-2-yl]ethanol (PubChem CID 64758128) has the molecular formula C10H17BrF3NO and a molecular weight of 304.15 g/mol. Its IUPAC name is 2-[1-(2-bromo-3,3,3-trifluoropropyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-bromo-3,3,3-trifluoropropyl)piperidin-2-yl]ethanol
PubChem CID64758128
Molecular FormulaC10H17BrF3NO
Molecular Weight304.15 g/mol
Exact Mass303.04
IUPAC Name2-[1-(2-bromo-3,3,3-trifluoropropyl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CC(Br)C(F)(F)F
InChIInChI=1S/C10H17BrF3NO/c11-9(10(12,13)14)7-15-5-2-1-3-8(15)4-6-16/h8-9,16H,1-7H2
InChIKeyJUSIYXKMLLPLIL-UHFFFAOYSA-N
XLogP2.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-methylpropyl)piperidin-2-yl]ethanol
CID 62021194
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol
CID 117028492
1-(2-bromo-3,3,3-trifluoropropyl)-2-cyclopentylpyrrolidine
CID 64758957
2-[1-(3-fluoropropyl)piperidin-2-yl]ethanol
CID 81113088
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270202
2-[1-(2-methylidenebutyl)piperidin-2-yl]ethanol
CID 66038303
(2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 95357883
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43368014
6-[2-(2-hydroxyethyl)piperidin-1-yl]hexan-1-ol
CID 103737919
2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol
CID 66454911
4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 79361314

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromo-3,3,3-trifluoropropyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-bromo-3,3,3-trifluoropropyl)piperidin-2-yl]ethanol (CID 64758128) is 2-[1-(2-bromo-3,3,3-trifluoropropyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-bromo-3,3,3-trifluoropropyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-bromo-3,3,3-trifluoropropyl)piperidin-2-yl]ethanol is OCCC1CCCCN1CC(Br)C(F)(F)F.
What is the InChIKey of 2-[1-(2-bromo-3,3,3-trifluoropropyl)piperidin-2-yl]ethanol?
The InChIKey is JUSIYXKMLLPLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3NO/c11-9(10(12,13)14)7-15-5-2-1-3-8(15)4-6-16/h8-9,16H,1-7H2.
What are the key properties of 2-[1-(2-bromo-3,3,3-trifluoropropyl)piperidin-2-yl]ethanol?
2-[1-(2-bromo-3,3,3-trifluoropropyl)piperidin-2-yl]ethanol has a molecular weight of 304.15 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromo-3,3,3-trifluoropropyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 64758128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).