1-(2-bromo-3,3,3-trifluoropropyl)piperidin-3-ol

C8H13BrF3NO — CID 64756949

IUPAC1-(2-bromo-3,3,3-trifluoropropyl)piperidin-3-ol
SMILESOC1CCCN(CC(Br)C(F)(F)F)C1
InChIInChI=1S/C8H13BrF3NO/c9-7(8(10,11)12)5-13-3-1-2-6(14)4-13/h6-7,14H,1-5H2
InChIKeyGEGJZMGCQBXRSG-UHFFFAOYSA-N
MW276.10 g/mol
LogP1.77
Rot. Bonds2

About 1-(2-bromo-3,3,3-trifluoropropyl)piperidin-3-ol

1-(2-bromo-3,3,3-trifluoropropyl)piperidin-3-ol (PubChem CID 64756949) has the molecular formula C8H13BrF3NO and a molecular weight of 276.10 g/mol. Its IUPAC name is 1-(2-bromo-3,3,3-trifluoropropyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(2-bromo-3,3,3-trifluoropropyl)piperidin-3-ol
PubChem CID64756949
Molecular FormulaC8H13BrF3NO
Molecular Weight276.10 g/mol
Exact Mass275.01
IUPAC Name1-(2-bromo-3,3,3-trifluoropropyl)piperidin-3-ol
SMILESOC1CCCN(CC(Br)C(F)(F)F)C1
InChIInChI=1S/C8H13BrF3NO/c9-7(8(10,11)12)5-13-3-1-2-6(14)4-13/h6-7,14H,1-5H2
InChIKeyGEGJZMGCQBXRSG-UHFFFAOYSA-N
XLogP1.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 51.77
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

1-(2-bromo-3,3,3-trifluoropropyl)piperidine-3-carbonitrile
CID 164658014
1-(2-bromo-3,3,3-trifluoropropyl)-3-(methoxymethyl)piperidine
CID 106588378
1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine
CID 124508985
[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol
CID 112628033
1-(2-bromo-3,3,3-trifluoropropyl)-4-propan-2-ylazepane
CID 64759361
1-[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol
CID 112628065
(3S)-1-[(2S)-2-aminopropyl]piperidin-3-ol
CID 124547059
(3R)-1-(2-methylpropyl)azepan-3-ol
CID 171752832
methyl 2-bromo-3-(3-hydroxypiperidin-1-yl)propanoate
CID 81100552
3-(3-hydroxypiperidin-1-yl)-2-methylpropanenitrile
CID 60649366
1-(chloromethyl)piperidin-3-ol
CID 53403087
(3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol
CID 107226168

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,3,3-trifluoropropyl)piperidin-3-ol?
The IUPAC name of 1-(2-bromo-3,3,3-trifluoropropyl)piperidin-3-ol (CID 64756949) is 1-(2-bromo-3,3,3-trifluoropropyl)piperidin-3-ol.
What is the SMILES notation for 1-(2-bromo-3,3,3-trifluoropropyl)piperidin-3-ol?
The canonical SMILES for 1-(2-bromo-3,3,3-trifluoropropyl)piperidin-3-ol is OC1CCCN(CC(Br)C(F)(F)F)C1.
What is the InChIKey of 1-(2-bromo-3,3,3-trifluoropropyl)piperidin-3-ol?
The InChIKey is GEGJZMGCQBXRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrF3NO/c9-7(8(10,11)12)5-13-3-1-2-6(14)4-13/h6-7,14H,1-5H2.
What are the key properties of 1-(2-bromo-3,3,3-trifluoropropyl)piperidin-3-ol?
1-(2-bromo-3,3,3-trifluoropropyl)piperidin-3-ol has a molecular weight of 276.10 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,3,3-trifluoropropyl)piperidin-3-ol is sourced from PubChem (CID 64756949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).