1-[2-(2-chloro-5-methylphenoxy)ethyl]piperidin-4-ol

C14H20ClNO2 — CID 39369283

IUPAC1-[2-(2-chloro-5-methylphenoxy)ethyl]piperidin-4-ol
SMILESCc1ccc(Cl)c(OCCN2CCC(O)CC2)c1
InChIInChI=1S/C14H20ClNO2/c1-11-2-3-13(15)14(10-11)18-9-8-16-6-4-12(17)5-7-16/h2-3,10,12,17H,4-9H2,1H3
InChIKeyAVSRTSJSUPSDHT-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.48
Rot. Bonds4

About 1-[2-(2-chloro-5-methylphenoxy)ethyl]piperidin-4-ol

1-[2-(2-chloro-5-methylphenoxy)ethyl]piperidin-4-ol (PubChem CID 39369283) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-[2-(2-chloro-5-methylphenoxy)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(2-chloro-5-methylphenoxy)ethyl]piperidin-4-ol
PubChem CID39369283
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-[2-(2-chloro-5-methylphenoxy)ethyl]piperidin-4-ol
SMILESCc1ccc(Cl)c(OCCN2CCC(O)CC2)c1
InChIInChI=1S/C14H20ClNO2/c1-11-2-3-13(15)14(10-11)18-9-8-16-6-4-12(17)5-7-16/h2-3,10,12,17H,4-9H2,1H3
InChIKeyAVSRTSJSUPSDHT-UHFFFAOYSA-N
XLogP2.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-5-methylphenoxy)ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-(2-chloro-5-methylphenoxy)ethyl]piperidin-4-ol (CID 39369283) is 1-[2-(2-chloro-5-methylphenoxy)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(2-chloro-5-methylphenoxy)ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(2-chloro-5-methylphenoxy)ethyl]piperidin-4-ol is Cc1ccc(Cl)c(OCCN2CCC(O)CC2)c1.
What is the InChIKey of 1-[2-(2-chloro-5-methylphenoxy)ethyl]piperidin-4-ol?
The InChIKey is AVSRTSJSUPSDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-11-2-3-13(15)14(10-11)18-9-8-16-6-4-12(17)5-7-16/h2-3,10,12,17H,4-9H2,1H3.
What are the key properties of 1-[2-(2-chloro-5-methylphenoxy)ethyl]piperidin-4-ol?
1-[2-(2-chloro-5-methylphenoxy)ethyl]piperidin-4-ol has a molecular weight of 269.77 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-5-methylphenoxy)ethyl]piperidin-4-ol is sourced from PubChem (CID 39369283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).