1-[[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol

C17H24F3N3O — CID 157038926

IUPAC1-[[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol
SMILESOC1CCN(CC2CCCN(c3ccnc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C17H24F3N3O/c18-17(19,20)16-10-14(3-6-21-16)23-7-1-2-13(12-23)11-22-8-4-15(24)5-9-22/h3,6,10,13,15,24H,1-2,4-5,7-9,11-12H2
InChIKeyKXGUYHVBBOSYBS-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.77
Rot. Bonds3

About 1-[[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol

1-[[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol (PubChem CID 157038926) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol
PubChem CID157038926
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Name1-[[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol
SMILESOC1CCN(CC2CCCN(c3ccnc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C17H24F3N3O/c18-17(19,20)16-10-14(3-6-21-16)23-7-1-2-13(12-23)11-22-8-4-15(24)5-9-22/h3,6,10,13,15,24H,1-2,4-5,7-9,11-12H2
InChIKeyKXGUYHVBBOSYBS-UHFFFAOYSA-N
XLogP2.77
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US9802918, Example 57
CID 124089697
1-(Pyridin-4-yl)piperidin-4-ol
CID 23447619
(3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-ol
CID 90676908
1-(3-Pyridinylmethyl)-4-piperidinol
CID 4372024
1-(4-pyridinyl)-4-Piperidineethanol
CID 54222674
3-(Benzyl{[6-(trifluoromethyl)pyridin-3-yl]methyl}amino)-2-methylpropan-1-ol
CID 46991947
(3R*,4R*)-4-amino-1-{[6-(trifluoromethyl)pyridin-3-yl]methyl}piperidin-3-ol
CID 70710424
[3-Ethyl-1-(3-fluoro-4-pyridinyl)-3-piperidinyl]methanol
CID 72940971
1-[(5-Methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 75509394
3-fluoro-4-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 97436809
[(2R)-1,4-bis[(5-fluoro-2-pyridinyl)methyl]piperazin-2-yl]methanol
CID 164637421
2-methyl-4-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine
CID 164642369

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol (CID 157038926) is 1-[[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol is OC1CCN(CC2CCCN(c3ccnc(C(F)(F)F)c3)C2)CC1.
What is the InChIKey of 1-[[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol?
The InChIKey is KXGUYHVBBOSYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O/c18-17(19,20)16-10-14(3-6-21-16)23-7-1-2-13(12-23)11-22-8-4-15(24)5-9-22/h3,6,10,13,15,24H,1-2,4-5,7-9,11-12H2.
What are the key properties of 1-[[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol?
1-[[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol has a molecular weight of 343.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 157038926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).