[6-(3,5-dichlorophenyl)-3-fluoro-2-[(6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol

C22H20Cl2FN3O2 — CID 167611313

IUPAC[6-(3,5-dichlorophenyl)-3-fluoro-2-[(6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol
SMILESOCc1cc(-c2cc(Cl)cc(Cl)c2)nc(Oc2ccc(N3CCCCC3)nc2)c1F
InChIInChI=1S/C22H20Cl2FN3O2/c23-16-8-14(9-17(24)11-16)19-10-15(13-29)21(25)22(27-19)30-18-4-5-20(26-12-18)28-6-2-1-3-7-28/h4-5,8-12,29H,1-3,6-7,13H2
InChIKeyLCCCXJNLSIUTNB-UHFFFAOYSA-N
MW448.33 g/mol
LogP5.86
Rot. Bonds5

About [6-(3,5-dichlorophenyl)-3-fluoro-2-[(6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol

[6-(3,5-dichlorophenyl)-3-fluoro-2-[(6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol (PubChem CID 167611313) has the molecular formula C22H20Cl2FN3O2 and a molecular weight of 448.33 g/mol. Its IUPAC name is [6-(3,5-dichlorophenyl)-3-fluoro-2-[(6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(3,5-dichlorophenyl)-3-fluoro-2-[(6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol
PubChem CID167611313
Molecular FormulaC22H20Cl2FN3O2
Molecular Weight448.33 g/mol
Exact Mass447.09
IUPAC Name[6-(3,5-dichlorophenyl)-3-fluoro-2-[(6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol
SMILESOCc1cc(-c2cc(Cl)cc(Cl)c2)nc(Oc2ccc(N3CCCCC3)nc2)c1F
InChIInChI=1S/C22H20Cl2FN3O2/c23-16-8-14(9-17(24)11-16)19-10-15(13-29)21(25)22(27-19)30-18-4-5-20(26-12-18)28-6-2-1-3-7-28/h4-5,8-12,29H,1-3,6-7,13H2
InChIKeyLCCCXJNLSIUTNB-UHFFFAOYSA-N
XLogP5.86
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.33
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-(3,5-dichlorophenyl)-3-fluoro-2-[(6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol with MolForge

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Launch Full Analysis

Related Compounds

[2-(3,5-dichlorophenyl)-6-[(5-fluoro-6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol
CID 167591140
1-[5-(trifluoromethoxy)-2-pyridinyl]azepane
CID 133487864
methyl 2-[1-[[2-[[6-(1,4-diazepan-1-yl)-3-pyridinyl]oxy]-6-(3,5-dichlorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]acetate
CID 146241648
methyl 2-chloro-6-[(6-piperidin-1-yl-3-pyridinyl)oxy]pyridine-4-carboxylate
CID 167572425
[2-(3-bromo-5-fluorophenyl)-6-[(6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methyl methanesulfonate
CID 167656831
[1-[[2-(3,5-dichlorophenyl)-6-[(6-piperazin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methyl]-4-hydroxypiperidin-4-yl]methylcarbamic acid
CID 146241097
tert-butyl 4-[5-[[6-(3-chloro-5-fluorophenyl)-4-methoxycarbonyl-2-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxylate
CID 146251789
2-[4-[5-[[4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-6-(3,5-dichlorophenyl)-2-pyridinyl]oxy]-2-pyridinyl]piperazin-1-yl]acetic acid
CID 146241476
1-[5-[[6-(3-chloro-5-methylphenyl)-4-propyl-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine
CID 167670836
1-[[4-[5-[[4-[[4-(aminomethyl)piperidin-1-yl]methyl]-6-(3,5-dichlorophenyl)-2-pyridinyl]oxy]-2-pyridinyl]piperazin-1-yl]methyl]cyclopropan-1-ol
CID 146241525
ethyl N-[4-[5-[[4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-6-(3,5-dichlorophenyl)-2-pyridinyl]oxy]-2-pyridinyl]piperazin-1-yl]carbamate
CID 175110242
3-[4-[5-[[6-(3,5-dichlorophenyl)-4-[[4-[(methylcarbamoylamino)methyl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]-2-pyridinyl]piperazin-1-yl]propanoic acid
CID 146241105

Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dichlorophenyl)-3-fluoro-2-[(6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol?
The IUPAC name of [6-(3,5-dichlorophenyl)-3-fluoro-2-[(6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol (CID 167611313) is [6-(3,5-dichlorophenyl)-3-fluoro-2-[(6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol.
What is the SMILES notation for [6-(3,5-dichlorophenyl)-3-fluoro-2-[(6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol?
The canonical SMILES for [6-(3,5-dichlorophenyl)-3-fluoro-2-[(6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol is OCc1cc(-c2cc(Cl)cc(Cl)c2)nc(Oc2ccc(N3CCCCC3)nc2)c1F.
What is the InChIKey of [6-(3,5-dichlorophenyl)-3-fluoro-2-[(6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol?
The InChIKey is LCCCXJNLSIUTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2FN3O2/c23-16-8-14(9-17(24)11-16)19-10-15(13-29)21(25)22(27-19)30-18-4-5-20(26-12-18)28-6-2-1-3-7-28/h4-5,8-12,29H,1-3,6-7,13H2.
What are the key properties of [6-(3,5-dichlorophenyl)-3-fluoro-2-[(6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol?
[6-(3,5-dichlorophenyl)-3-fluoro-2-[(6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol has a molecular weight of 448.33 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-dichlorophenyl)-3-fluoro-2-[(6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol is sourced from PubChem (CID 167611313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).