1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone

C14H20N2O2 — CID 53151020

IUPAC1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCOc2cccnc2)CC1
InChIInChI=1S/C14H20N2O2/c1-12(17)16-8-4-13(5-9-16)6-10-18-14-3-2-7-15-11-14/h2-3,7,11,13H,4-6,8-10H2,1H3
InChIKeyITPZBLSWPGOURS-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.11
Rot. Bonds4

About 1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone

1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone (PubChem CID 53151020) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
PubChem CID53151020
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCOc2cccnc2)CC1
InChIInChI=1S/C14H20N2O2/c1-12(17)16-8-4-13(5-9-16)6-10-18-14-3-2-7-15-11-14/h2-3,7,11,13H,4-6,8-10H2,1H3
InChIKeyITPZBLSWPGOURS-UHFFFAOYSA-N
XLogP2.11
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone (CID 53151020) is 1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(CCOc2cccnc2)CC1.
What is the InChIKey of 1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone?
The InChIKey is ITPZBLSWPGOURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-12(17)16-8-4-13(5-9-16)6-10-18-14-3-2-7-15-11-14/h2-3,7,11,13H,4-6,8-10H2,1H3.
What are the key properties of 1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone?
1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53151020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).