(3R)-1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-3-ol

C25H28ClN3O2 — CID 122184698

IUPAC(3R)-1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(Cc2ccc(OCCCc3ccc(-c4ccc(Cl)cc4)nn3)cc2)C1
InChIInChI=1S/C25H28ClN3O2/c26-21-9-7-20(8-10-21)25-14-11-22(27-28-25)3-2-16-31-24-12-5-19(6-13-24)17-29-15-1-4-23(30)18-29/h5-14,23,30H,1-4,15-18H2/t23-/m1/s1
InChIKeyKURYMMXNUSXWIX-HSZRJFAPSA-N
MW437.97 g/mol
LogP4.77
Rot. Bonds8

About (3R)-1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-3-ol

(3R)-1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-3-ol (PubChem CID 122184698) has the molecular formula C25H28ClN3O2 and a molecular weight of 437.97 g/mol. Its IUPAC name is (3R)-1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-3-ol
PubChem CID122184698
Molecular FormulaC25H28ClN3O2
Molecular Weight437.97 g/mol
Exact Mass437.19
IUPAC Name(3R)-1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(Cc2ccc(OCCCc3ccc(-c4ccc(Cl)cc4)nn3)cc2)C1
InChIInChI=1S/C25H28ClN3O2/c26-21-9-7-20(8-10-21)25-14-11-22(27-28-25)3-2-16-31-24-12-5-19(6-13-24)17-29-15-1-4-23(30)18-29/h5-14,23,30H,1-4,15-18H2/t23-/m1/s1
InChIKeyKURYMMXNUSXWIX-HSZRJFAPSA-N
XLogP4.77
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.97
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-3-ol (CID 122184698) is (3R)-1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-3-ol is O[C@@H]1CCCN(Cc2ccc(OCCCc3ccc(-c4ccc(Cl)cc4)nn3)cc2)C1.
What is the InChIKey of (3R)-1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-3-ol?
The InChIKey is KURYMMXNUSXWIX-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H28ClN3O2/c26-21-9-7-20(8-10-21)25-14-11-22(27-28-25)3-2-16-31-24-12-5-19(6-13-24)17-29-15-1-4-23(30)18-29/h5-14,23,30H,1-4,15-18H2/t23-/m1/s1.
What are the key properties of (3R)-1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-3-ol?
(3R)-1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-3-ol has a molecular weight of 437.97 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 122184698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).