4-[4-[(3,5-dichloro-2-pyridinyl)methoxy]piperidin-1-yl]phenol

C17H18Cl2N2O2 — CID 70873410

IUPAC4-[4-[(3,5-dichloro-2-pyridinyl)methoxy]piperidin-1-yl]phenol
SMILESOc1ccc(N2CCC(OCc3ncc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C17H18Cl2N2O2/c18-12-9-16(19)17(20-10-12)11-23-15-5-7-21(8-6-15)13-1-3-14(22)4-2-13/h1-4,9-10,15,22H,5-8,11H2
InChIKeyFFQWLYLGZQUOEJ-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.28
Rot. Bonds4

About 4-[4-[(3,5-dichloro-2-pyridinyl)methoxy]piperidin-1-yl]phenol

4-[4-[(3,5-dichloro-2-pyridinyl)methoxy]piperidin-1-yl]phenol (PubChem CID 70873410) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 4-[4-[(3,5-dichloro-2-pyridinyl)methoxy]piperidin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[(3,5-dichloro-2-pyridinyl)methoxy]piperidin-1-yl]phenol
PubChem CID70873410
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name4-[4-[(3,5-dichloro-2-pyridinyl)methoxy]piperidin-1-yl]phenol
SMILESOc1ccc(N2CCC(OCc3ncc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C17H18Cl2N2O2/c18-12-9-16(19)17(20-10-12)11-23-15-5-7-21(8-6-15)13-1-3-14(22)4-2-13/h1-4,9-10,15,22H,5-8,11H2
InChIKeyFFQWLYLGZQUOEJ-UHFFFAOYSA-N
XLogP4.28
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3,5-dichloro-2-pyridinyl)methoxy]piperidin-1-yl]phenol?
The IUPAC name of 4-[4-[(3,5-dichloro-2-pyridinyl)methoxy]piperidin-1-yl]phenol (CID 70873410) is 4-[4-[(3,5-dichloro-2-pyridinyl)methoxy]piperidin-1-yl]phenol.
What is the SMILES notation for 4-[4-[(3,5-dichloro-2-pyridinyl)methoxy]piperidin-1-yl]phenol?
The canonical SMILES for 4-[4-[(3,5-dichloro-2-pyridinyl)methoxy]piperidin-1-yl]phenol is Oc1ccc(N2CCC(OCc3ncc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of 4-[4-[(3,5-dichloro-2-pyridinyl)methoxy]piperidin-1-yl]phenol?
The InChIKey is FFQWLYLGZQUOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c18-12-9-16(19)17(20-10-12)11-23-15-5-7-21(8-6-15)13-1-3-14(22)4-2-13/h1-4,9-10,15,22H,5-8,11H2.
What are the key properties of 4-[4-[(3,5-dichloro-2-pyridinyl)methoxy]piperidin-1-yl]phenol?
4-[4-[(3,5-dichloro-2-pyridinyl)methoxy]piperidin-1-yl]phenol has a molecular weight of 353.25 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3,5-dichloro-2-pyridinyl)methoxy]piperidin-1-yl]phenol is sourced from PubChem (CID 70873410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).