2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride

C7H13ClF3NO — CID 66728457

IUPAC2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride
SMILESCl.OC(C1CCNCC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO.ClH/c8-7(9,10)6(12)5-1-3-11-4-2-5;/h5-6,11-12H,1-4H2;1H
InChIKeyBWEKWWHSIVDNOC-UHFFFAOYSA-N
MW219.63 g/mol
LogP1.33
Rot. Bonds1

About 2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride

2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride (PubChem CID 66728457) has the molecular formula C7H13ClF3NO and a molecular weight of 219.63 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride
PubChem CID66728457
Molecular FormulaC7H13ClF3NO
Molecular Weight219.63 g/mol
Exact Mass219.06
IUPAC Name2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride
SMILESCl.OC(C1CCNCC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO.ClH/c8-7(9,10)6(12)5-1-3-11-4-2-5;/h5-6,11-12H,1-4H2;1H
InChIKeyBWEKWWHSIVDNOC-UHFFFAOYSA-N
XLogP1.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride
CID 70086662
2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol
CID 64773776
3,3,3-trifluoro-1-piperidin-4-ylpropan-1-ol
CID 83686081
1-piperidin-4-yl-2-(trifluoromethyl)prop-2-en-1-ol
CID 130564639
2,2,2-trifluoro-1-[(2S,4R)-2-phenylpiperidin-4-yl]ethanol
CID 170718755
pyrrolidin-2-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone;hydrochloride
CID 91660155
cyclopentyl(piperidin-4-yl)methanol
CID 54333800
oxan-4-yl(piperidin-4-yl)methanol;hydrochloride
CID 119031728
3-piperidin-4-ylbutan-2-ol
CID 154192279
[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]carbamic acid
CID 129247542
2-hydroxy-2-piperidin-4-ylacetic acid
CID 50990582
2-cyclopropyl-1-piperidin-4-ylethanol
CID 67828644

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride (CID 66728457) is 2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride is Cl.OC(C1CCNCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride?
The InChIKey is BWEKWWHSIVDNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO.ClH/c8-7(9,10)6(12)5-1-3-11-4-2-5;/h5-6,11-12H,1-4H2;1H.
What are the key properties of 2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride?
2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride has a molecular weight of 219.63 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride is sourced from PubChem (CID 66728457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).