1-[2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol

C22H23ClN2O2 — CID 90669173

IUPAC1-[2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol
SMILESOC(CC1CCCCN1)c1cc(Oc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C22H23ClN2O2/c23-15-8-10-17(11-9-15)27-22-14-19(18-6-1-2-7-20(18)25-22)21(26)13-16-5-3-4-12-24-16/h1-2,6-11,14,16,21,24,26H,3-5,12-13H2
InChIKeyHQGSKOUBFJQTLQ-UHFFFAOYSA-N
MW382.89 g/mol
LogP5.25
Rot. Bonds5

About 1-[2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol

1-[2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol (PubChem CID 90669173) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol
PubChem CID90669173
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name1-[2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol
SMILESOC(CC1CCCCN1)c1cc(Oc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C22H23ClN2O2/c23-15-8-10-17(11-9-15)27-22-14-19(18-6-1-2-7-20(18)25-22)21(26)13-16-5-3-4-12-24-16/h1-2,6-11,14,16,21,24,26H,3-5,12-13H2
InChIKeyHQGSKOUBFJQTLQ-UHFFFAOYSA-N
XLogP5.25
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol?
The IUPAC name of 1-[2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol (CID 90669173) is 1-[2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol?
The canonical SMILES for 1-[2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol is OC(CC1CCCCN1)c1cc(Oc2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 1-[2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol?
The InChIKey is HQGSKOUBFJQTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c23-15-8-10-17(11-9-15)27-22-14-19(18-6-1-2-7-20(18)25-22)21(26)13-16-5-3-4-12-24-16/h1-2,6-11,14,16,21,24,26H,3-5,12-13H2.
What are the key properties of 1-[2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol?
1-[2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol has a molecular weight of 382.89 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol is sourced from PubChem (CID 90669173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).