piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol

C13H16F3NO — CID 11392289

IUPACpiperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cccc(C(F)(F)F)c1)C1CCNCC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-3-1-2-10(8-11)12(18)9-4-6-17-7-5-9/h1-3,8-9,12,17-18H,4-7H2
InChIKeyBDVMVZADJRCUGK-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.74
Rot. Bonds2

About piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol

piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 11392289) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Namepiperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol
PubChem CID11392289
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Namepiperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cccc(C(F)(F)F)c1)C1CCNCC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-3-1-2-10(8-11)12(18)9-4-6-17-7-5-9/h1-3,8-9,12,17-18H,4-7H2
InChIKeyBDVMVZADJRCUGK-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-[3-(trifluoromethyl)phenyl]methanol
CID 64986539
1,4-dioxaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)phenyl]methanol
CID 19436901
piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol
CID 23467209
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156
(3,4-difluorophenyl)-piperidin-4-ylmethanol
CID 43146486
1-[(S)-cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171179871
N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119297142
N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide
CID 119388692
2-[fluoro-[3-(trifluoromethyl)phenyl]methyl]azetidine
CID 105492174
4-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 124514391
(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206809
(R)-piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 171314104

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol (CID 11392289) is piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol is OC(c1cccc(C(F)(F)F)c1)C1CCNCC1.
What is the InChIKey of piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is BDVMVZADJRCUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)11-3-1-2-10(8-11)12(18)9-4-6-17-7-5-9/h1-3,8-9,12,17-18H,4-7H2.
What are the key properties of piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol?
piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 259.27 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 11392289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).