2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol

C14H18F3NO — CID 54775953

IUPAC2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
SMILESOCC(c1ccccc1C(F)(F)F)N1CCCCC1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12-7-3-2-6-11(12)13(10-19)18-8-4-1-5-9-18/h2-3,6-7,13,19H,1,4-5,8-10H2
InChIKeyBMYZSBLARQQXQX-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.22
Rot. Bonds3

About 2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol

2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 54775953) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID54775953
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
SMILESOCC(c1ccccc1C(F)(F)F)N1CCCCC1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12-7-3-2-6-11(12)13(10-19)18-8-4-1-5-9-18/h2-3,6-7,13,19H,1,4-5,8-10H2
InChIKeyBMYZSBLARQQXQX-UHFFFAOYSA-N
XLogP3.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 171173695
(2S)-2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 30116375
3-pyrrolidin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 117243860
2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 54775908
1-[1-[2-(trifluoromethyl)phenyl]propyl]-1,4-diazepane
CID 3580285
2-(1,4-thiazepan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 61419651
1-[(1S)-2-fluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171181940
(4R)-4-piperazin-1-yl-4-[2-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171173694
(2S)-2-[2,5-bis(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol;hydrochloride
CID 171173861
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol
CID 54775718
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 43581265

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol (CID 54775953) is 2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol is OCC(c1ccccc1C(F)(F)F)N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is BMYZSBLARQQXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)12-7-3-2-6-11(12)13(10-19)18-8-4-1-5-9-18/h2-3,6-7,13,19H,1,4-5,8-10H2.
What are the key properties of 2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol?
2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 273.30 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 54775953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).