(1S)-2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol

C10H18F3NO — CID 129298762

IUPAC(1S)-2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol
SMILESCC(C)N1CCC([C@H](O)C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-7(2)14-5-3-8(4-6-14)9(15)10(11,12)13/h7-9,15H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyXBKJDLSDTUUHPJ-VIFPVBQESA-N
MW225.25 g/mol
LogP2.03
Rot. Bonds2

About (1S)-2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol

(1S)-2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol (PubChem CID 129298762) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol
PubChem CID129298762
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name(1S)-2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol
SMILESCC(C)N1CCC([C@H](O)C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-7(2)14-5-3-8(4-6-14)9(15)10(11,12)13/h7-9,15H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyXBKJDLSDTUUHPJ-VIFPVBQESA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Ethylpiperidin-4-yl)ethan-1-ol
CID 588327
(1-Isopropylpiperidin-4-Yl)Methanol
CID 11147855
1-(1-Methylpiperidin-4-yl)ethan-1-ol
CID 13266403
[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methanol
CID 52274441
(1S)-1-(1,1-dimethylpiperidin-1-ium-4-yl)ethanol
CID 44368116
1,1,1-Trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 3416712
(1S)-1-(1-methylpiperidin-4-yl)ethan-1-ol hydrochloride
CID 165881233
(1R)-1-(1-methylpiperidin-4-yl)ethan-1-ol hydrochloride
CID 170912928
(2S)-1,1,1-trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 1482207
[1-(2-Fluoroethyl)piperidin-4-yl]methanol
CID 55275930
1-Methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
CID 58450218
2,2,2-Trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol
CID 60046634

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol (CID 129298762) is (1S)-2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol is CC(C)N1CCC([C@H](O)C(F)(F)F)CC1.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol?
The InChIKey is XBKJDLSDTUUHPJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(2)14-5-3-8(4-6-14)9(15)10(11,12)13/h7-9,15H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol?
(1S)-2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol has a molecular weight of 225.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol is sourced from PubChem (CID 129298762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).