[4-(6-methoxy-5-methyl-3-pyridinyl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid

C21H25F3N2O4 — CID 167930935

IUPAC[4-(6-methoxy-5-methyl-3-pyridinyl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid
SMILESCOc1ncc(-c2ccc(C(O)C3CCCNC3)cc2)cc1C.O=C(O)C(F)(F)F
InChIInChI=1S/C19H24N2O2.C2HF3O2/c1-13-10-17(12-21-19(13)23-2)14-5-7-15(8-6-14)18(22)16-4-3-9-20-11-16;3-2(4,5)1(6)7/h5-8,10,12,16,18,20,22H,3-4,9,11H2,1-2H3;(H,6,7)
InChIKeyVVNMSOMAGAZYGC-UHFFFAOYSA-N
MW426.44 g/mol
LogP3.73
Rot. Bonds4

About [4-(6-methoxy-5-methyl-3-pyridinyl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid

[4-(6-methoxy-5-methyl-3-pyridinyl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid (PubChem CID 167930935) has the molecular formula C21H25F3N2O4 and a molecular weight of 426.44 g/mol. Its IUPAC name is [4-(6-methoxy-5-methyl-3-pyridinyl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[4-(6-methoxy-5-methyl-3-pyridinyl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid
PubChem CID167930935
Molecular FormulaC21H25F3N2O4
Molecular Weight426.44 g/mol
Exact Mass426.18
IUPAC Name[4-(6-methoxy-5-methyl-3-pyridinyl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid
SMILESCOc1ncc(-c2ccc(C(O)C3CCCNC3)cc2)cc1C.O=C(O)C(F)(F)F
InChIInChI=1S/C19H24N2O2.C2HF3O2/c1-13-10-17(12-21-19(13)23-2)14-5-7-15(8-6-14)18(22)16-4-3-9-20-11-16;3-2(4,5)1(6)7/h5-8,10,12,16,18,20,22H,3-4,9,11H2,1-2H3;(H,6,7)
InChIKeyVVNMSOMAGAZYGC-UHFFFAOYSA-N
XLogP3.73
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-(6-methoxy-5-methyl-3-pyridinyl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid
CID 167875289
(4-methylphenyl)-piperidin-3-ylmethanol
CID 43146496
[4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-piperidin-3-ylmethanol
CID 167893520
(4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol
CID 79023931
(R)-phenyl-[(3S)-piperidin-3-yl]methanol
CID 39238461
[4-[(2-methylpropan-2-yl)oxy]phenyl]-piperidin-3-ylmethanol
CID 82303366
(4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol
CID 80560290
4-[6-methoxy-5-[[[(3R,4S)-3-phenylpiperidin-4-yl]amino]methyl]-3-pyridinyl]benzonitrile;tris(2,2,2-trifluoroacetic acid)
CID 160925427
methyl N-[2-[(R)-(5-chloro-2-methylphenyl)-[(3R)-piperidin-3-yl]methoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid
CID 68954194
[4-(2-methylbutan-2-yl)phenyl]-piperidin-3-ylmethanol
CID 66259760
2-(4-phenylphenyl)-2-[(3R)-piperidin-3-yl]acetic acid
CID 91550438
piperidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782199

Frequently Asked Questions

What is the IUPAC name of [4-(6-methoxy-5-methyl-3-pyridinyl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of [4-(6-methoxy-5-methyl-3-pyridinyl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid (CID 167930935) is [4-(6-methoxy-5-methyl-3-pyridinyl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [4-(6-methoxy-5-methyl-3-pyridinyl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for [4-(6-methoxy-5-methyl-3-pyridinyl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid is COc1ncc(-c2ccc(C(O)C3CCCNC3)cc2)cc1C.O=C(O)C(F)(F)F.
What is the InChIKey of [4-(6-methoxy-5-methyl-3-pyridinyl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid?
The InChIKey is VVNMSOMAGAZYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.C2HF3O2/c1-13-10-17(12-21-19(13)23-2)14-5-7-15(8-6-14)18(22)16-4-3-9-20-11-16;3-2(4,5)1(6)7/h5-8,10,12,16,18,20,22H,3-4,9,11H2,1-2H3;(H,6,7).
What are the key properties of [4-(6-methoxy-5-methyl-3-pyridinyl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid?
[4-(6-methoxy-5-methyl-3-pyridinyl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid has a molecular weight of 426.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methoxy-5-methyl-3-pyridinyl)phenyl]-piperidin-3-ylmethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167930935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).