3-[3-hydroxy-2-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]propyl]-2-phenylpiperidin-3-ol

C21H25F3N2O3 — CID 22000214

IUPAC3-[3-hydroxy-2-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]propyl]-2-phenylpiperidin-3-ol
SMILESCOc1ccc(C(F)(F)F)nc1C(CO)CC1(O)CCCNC1c1ccccc1
InChIInChI=1S/C21H25F3N2O3/c1-29-16-8-9-17(21(22,23)24)26-18(16)15(13-27)12-20(28)10-5-11-25-19(20)14-6-3-2-4-7-14/h2-4,6-9,15,19,25,27-28H,5,10-13H2,1H3
InChIKeyMTPZDJRUKFBVFL-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.43
Rot. Bonds6

About 3-[3-hydroxy-2-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]propyl]-2-phenylpiperidin-3-ol

3-[3-hydroxy-2-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]propyl]-2-phenylpiperidin-3-ol (PubChem CID 22000214) has the molecular formula C21H25F3N2O3 and a molecular weight of 410.44 g/mol. Its IUPAC name is 3-[3-hydroxy-2-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]propyl]-2-phenylpiperidin-3-ol.

Molecular Properties

Compound Name3-[3-hydroxy-2-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]propyl]-2-phenylpiperidin-3-ol
PubChem CID22000214
Molecular FormulaC21H25F3N2O3
Molecular Weight410.44 g/mol
Exact Mass410.18
IUPAC Name3-[3-hydroxy-2-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]propyl]-2-phenylpiperidin-3-ol
SMILESCOc1ccc(C(F)(F)F)nc1C(CO)CC1(O)CCCNC1c1ccccc1
InChIInChI=1S/C21H25F3N2O3/c1-29-16-8-9-17(21(22,23)24)26-18(16)15(13-27)12-20(28)10-5-11-25-19(20)14-6-3-2-4-7-14/h2-4,6-9,15,19,25,27-28H,5,10-13H2,1H3
InChIKeyMTPZDJRUKFBVFL-UHFFFAOYSA-N
XLogP3.43
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[3-fluoro-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312335
(2R)-2-[[3-fluoro-6-(2-fluoro-5-propan-2-yloxyphenyl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312406
(2R)-2-[[3-fluoro-6-(3-fluoro-4-propan-2-yloxyphenyl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312408
(2R)-2-[[3-fluoro-6-(3-propan-2-yloxyphenyl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312515
(2R)-2-[[6-(3,4-difluoro-5-methoxyphenyl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312869
(2R)-2-[[3-fluoro-6-[4-(trifluoromethoxy)phenyl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312988
(2R)-2-[[3-fluoro-6-[3-(trifluoromethoxy)phenyl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312486
(3S*,4S*)-4-(3-methoxyphenyl)-1-[(6-methylpyridin-2-yl)methyl]piperidin-3-ol
CID 50959710
1-[6-Methoxy-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol
CID 90669107
2-[4-[[5-(Difluoromethoxy)-6-(3-methoxyphenyl)-2-pyridinyl]methyl]phenyl]ethanol
CID 172440707
3-[4-[[6-[3-(Difluoromethoxy)phenyl]-5-methoxy-2-pyridinyl]methyl]phenyl]propan-1-ol
CID 172451577
3-[4-[[5-(Difluoromethoxy)-6-(3-methoxyphenyl)-2-pyridinyl]methyl]phenyl]propan-1-ol
CID 172464980

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxy-2-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]propyl]-2-phenylpiperidin-3-ol?
The IUPAC name of 3-[3-hydroxy-2-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]propyl]-2-phenylpiperidin-3-ol (CID 22000214) is 3-[3-hydroxy-2-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]propyl]-2-phenylpiperidin-3-ol.
What is the SMILES notation for 3-[3-hydroxy-2-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]propyl]-2-phenylpiperidin-3-ol?
The canonical SMILES for 3-[3-hydroxy-2-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]propyl]-2-phenylpiperidin-3-ol is COc1ccc(C(F)(F)F)nc1C(CO)CC1(O)CCCNC1c1ccccc1.
What is the InChIKey of 3-[3-hydroxy-2-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]propyl]-2-phenylpiperidin-3-ol?
The InChIKey is MTPZDJRUKFBVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O3/c1-29-16-8-9-17(21(22,23)24)26-18(16)15(13-27)12-20(28)10-5-11-25-19(20)14-6-3-2-4-7-14/h2-4,6-9,15,19,25,27-28H,5,10-13H2,1H3.
What are the key properties of 3-[3-hydroxy-2-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]propyl]-2-phenylpiperidin-3-ol?
3-[3-hydroxy-2-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]propyl]-2-phenylpiperidin-3-ol has a molecular weight of 410.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxy-2-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]propyl]-2-phenylpiperidin-3-ol is sourced from PubChem (CID 22000214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).