2-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]ethyl acetate

C15H19N3O2 — CID 101468380

IUPAC2-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]ethyl acetate
SMILESCC(=O)OCCC1CCN(c2ccc(C#N)nc2)CC1
InChIInChI=1S/C15H19N3O2/c1-12(19)20-9-6-13-4-7-18(8-5-13)15-3-2-14(10-16)17-11-15/h2-3,11,13H,4-9H2,1H3
InChIKeyXPFMHRDJUIZUKP-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.12
Rot. Bonds4

About 2-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]ethyl acetate

2-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]ethyl acetate (PubChem CID 101468380) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]ethyl acetate.

Molecular Properties

Compound Name2-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]ethyl acetate
PubChem CID101468380
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]ethyl acetate
SMILESCC(=O)OCCC1CCN(c2ccc(C#N)nc2)CC1
InChIInChI=1S/C15H19N3O2/c1-12(19)20-9-6-13-4-7-18(8-5-13)15-3-2-14(10-16)17-11-15/h2-3,11,13H,4-9H2,1H3
InChIKeyXPFMHRDJUIZUKP-UHFFFAOYSA-N
XLogP2.12
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]ethyl acetate?
The IUPAC name of 2-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]ethyl acetate (CID 101468380) is 2-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]ethyl acetate.
What is the SMILES notation for 2-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]ethyl acetate?
The canonical SMILES for 2-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]ethyl acetate is CC(=O)OCCC1CCN(c2ccc(C#N)nc2)CC1.
What is the InChIKey of 2-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]ethyl acetate?
The InChIKey is XPFMHRDJUIZUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12(19)20-9-6-13-4-7-18(8-5-13)15-3-2-14(10-16)17-11-15/h2-3,11,13H,4-9H2,1H3.
What are the key properties of 2-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]ethyl acetate?
2-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]ethyl acetate has a molecular weight of 273.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]ethyl acetate is sourced from PubChem (CID 101468380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).