4-(4-chlorophenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol

C17H16ClF3N2O — CID 172892955

IUPAC4-(4-chlorophenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(c2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C17H16ClF3N2O/c18-14-3-1-12(2-4-14)16(24)6-9-23(10-7-16)15-11-13(5-8-22-15)17(19,20)21/h1-5,8,11,24H,6-7,9-10H2
InChIKeyRGICGVAIVVYQLJ-UHFFFAOYSA-N
MW356.78 g/mol
LogP4.24
Rot. Bonds2

About 4-(4-chlorophenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol (PubChem CID 172892955) has the molecular formula C17H16ClF3N2O and a molecular weight of 356.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
PubChem CID172892955
Molecular FormulaC17H16ClF3N2O
Molecular Weight356.78 g/mol
Exact Mass356.09
IUPAC Name4-(4-chlorophenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(c2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C17H16ClF3N2O/c18-14-3-1-12(2-4-14)16(24)6-9-23(10-7-16)15-11-13(5-8-22-15)17(19,20)21/h1-5,8,11,24H,6-7,9-10H2
InChIKeyRGICGVAIVVYQLJ-UHFFFAOYSA-N
XLogP4.24
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Fluorophenyl)-(4-chlorophenyl)-(5-pyrimidinyl)carbinol
CID 15801114
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-pyridin-3-yl-pentanenitrile
CID 10809142
US12325701, Example 52.
CID 168678999
US12325701, Example 53.
CID 168679000
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]tetrahydro-4(1H)-pyridinone O-(4-chlorobenzyl)oxime
CID 2765006
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]tetrahydro-4(1H)-pyridinone O-[3-(trifluoromethyl)benzyl]oxime
CID 2765011
1-Phenyl-3-(4-(pyridin-2-yl)piperazin-1-yl)propan-1-ol
CID 10827876
(4-Chloro-phenyl)-pyrimidin-5-yl-(4-trifluoromethyl-phenyl)-methanol
CID 13813637
(4-Chloro-phenyl)-(4-fluoro-phenyl)-pyrimidin-5-yl-methanol
CID 13813638
(4-Chloro-phenyl)-(3-fluoro-phenyl)-pyrimidin-5-yl-methanol
CID 13813682
(4-Chloro-phenyl)-pyridin-3-yl-(3-trifluoromethyl-phenyl)-methanol: (Hydrochloride)
CID 44356977
(4-Chloro-2-fluorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol
CID 56669318

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol (CID 172892955) is 4-(4-chlorophenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(c2cc(C(F)(F)F)ccn2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
The InChIKey is RGICGVAIVVYQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O/c18-14-3-1-12(2-4-14)16(24)6-9-23(10-7-16)15-11-13(5-8-22-15)17(19,20)21/h1-5,8,11,24H,6-7,9-10H2.
What are the key properties of 4-(4-chlorophenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol has a molecular weight of 356.78 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 172892955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).