5-[5-[6-amino-5-[1-(2,6-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol

C23H24Cl2N4O2 — CID 123223195

IUPAC5-[5-[6-amino-5-[1-(2,6-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol
SMILESCC(Oc1cc(-c2ccc(C3CNCC(O)C3)nc2)cnc1N)c1c(Cl)cccc1Cl
InChIInChI=1S/C23H24Cl2N4O2/c1-13(22-18(24)3-2-4-19(22)25)31-21-8-15(11-29-23(21)26)14-5-6-20(28-10-14)16-7-17(30)12-27-9-16/h2-6,8,10-11,13,16-17,27,30H,7,9,12H2,1H3,(H2,26,29)
InChIKeyJLCLJGUXYVXGMK-UHFFFAOYSA-N
MW459.38 g/mol
LogP4.61
Rot. Bonds5

About 5-[5-[6-amino-5-[1-(2,6-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol

5-[5-[6-amino-5-[1-(2,6-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol (PubChem CID 123223195) has the molecular formula C23H24Cl2N4O2 and a molecular weight of 459.38 g/mol. Its IUPAC name is 5-[5-[6-amino-5-[1-(2,6-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name5-[5-[6-amino-5-[1-(2,6-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol
PubChem CID123223195
Molecular FormulaC23H24Cl2N4O2
Molecular Weight459.38 g/mol
Exact Mass458.13
IUPAC Name5-[5-[6-amino-5-[1-(2,6-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol
SMILESCC(Oc1cc(-c2ccc(C3CNCC(O)C3)nc2)cnc1N)c1c(Cl)cccc1Cl
InChIInChI=1S/C23H24Cl2N4O2/c1-13(22-18(24)3-2-4-19(22)25)31-21-8-15(11-29-23(21)26)14-5-6-20(28-10-14)16-7-17(30)12-27-9-16/h2-6,8,10-11,13,16-17,27,30H,7,9,12H2,1H3,(H2,26,29)
InChIKeyJLCLJGUXYVXGMK-UHFFFAOYSA-N
XLogP4.61
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[6-amino-5-[1-(2,6-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol?
The IUPAC name of 5-[5-[6-amino-5-[1-(2,6-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol (CID 123223195) is 5-[5-[6-amino-5-[1-(2,6-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol.
What is the SMILES notation for 5-[5-[6-amino-5-[1-(2,6-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol?
The canonical SMILES for 5-[5-[6-amino-5-[1-(2,6-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol is CC(Oc1cc(-c2ccc(C3CNCC(O)C3)nc2)cnc1N)c1c(Cl)cccc1Cl.
What is the InChIKey of 5-[5-[6-amino-5-[1-(2,6-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol?
The InChIKey is JLCLJGUXYVXGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O2/c1-13(22-18(24)3-2-4-19(22)25)31-21-8-15(11-29-23(21)26)14-5-6-20(28-10-14)16-7-17(30)12-27-9-16/h2-6,8,10-11,13,16-17,27,30H,7,9,12H2,1H3,(H2,26,29).
What are the key properties of 5-[5-[6-amino-5-[1-(2,6-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol?
5-[5-[6-amino-5-[1-(2,6-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol has a molecular weight of 459.38 g/mol, XLogP of 4.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[6-amino-5-[1-(2,6-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 123223195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).