1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]ethanone

C12H15ClN2O2 — CID 71798921

IUPAC1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2ccc(Cl)cn2)CC1
InChIInChI=1S/C12H15ClN2O2/c1-9(16)15-6-4-11(5-7-15)17-12-3-2-10(13)8-14-12/h2-3,8,11H,4-7H2,1H3
InChIKeyJKZDFMDUMLWAKF-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.12
Rot. Bonds2

About 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]ethanone

1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]ethanone (PubChem CID 71798921) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]ethanone
PubChem CID71798921
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2ccc(Cl)cn2)CC1
InChIInChI=1S/C12H15ClN2O2/c1-9(16)15-6-4-11(5-7-15)17-12-3-2-10(13)8-14-12/h2-3,8,11H,4-7H2,1H3
InChIKeyJKZDFMDUMLWAKF-UHFFFAOYSA-N
XLogP2.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]ethanone (CID 71798921) is 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]ethanone is CC(=O)N1CCC(Oc2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]ethanone?
The InChIKey is JKZDFMDUMLWAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-9(16)15-6-4-11(5-7-15)17-12-3-2-10(13)8-14-12/h2-3,8,11H,4-7H2,1H3.
What are the key properties of 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]ethanone?
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]ethanone has a molecular weight of 254.72 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 71798921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).