piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol

C13H16F3NO — CID 23467209

IUPACpiperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cccc(C(F)(F)F)c1)C1CCCCN1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)10-5-3-4-9(8-10)12(18)11-6-1-2-7-17-11/h3-5,8,11-12,17-18H,1-2,6-7H2
InChIKeyHREBRFJZIKJWOT-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.88
Rot. Bonds2

About piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol

piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 23467209) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Namepiperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol
PubChem CID23467209
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Namepiperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cccc(C(F)(F)F)c1)C1CCCCN1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)10-5-3-4-9(8-10)12(18)11-6-1-2-7-17-11/h3-5,8,11-12,17-18H,1-2,6-7H2
InChIKeyHREBRFJZIKJWOT-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[fluoro-[3-(trifluoromethyl)phenyl]methyl]azetidine
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(3-methoxyphenyl)-[(2S)-piperidin-2-yl]methanol
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3-[hydroxy(pyrrolidin-2-yl)methyl]phenol
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(S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 101053418
piperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol
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phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
azepan-2-yl-(3-chloro-4-fluorophenyl)methanol
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1,1,2-triphenyl-2-piperidin-2-ylethanol
CID 4178886

Frequently Asked Questions

What is the IUPAC name of piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol (CID 23467209) is piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol is OC(c1cccc(C(F)(F)F)c1)C1CCCCN1.
What is the InChIKey of piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is HREBRFJZIKJWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)10-5-3-4-9(8-10)12(18)11-6-1-2-7-17-11/h3-5,8,11-12,17-18H,1-2,6-7H2.
What are the key properties of piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol?
piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 259.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 23467209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).