propan-2-yl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate

C15H22N2O3 — CID 110244459

IUPACpropan-2-yl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate
SMILESCC(C)OC(=O)CN1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C15H22N2O3/c1-12(2)20-14(18)11-17-8-5-15(19,6-9-17)13-4-3-7-16-10-13/h3-4,7,10,12,19H,5-6,8-9,11H2,1-2H3
InChIKeyBWGQBXTZNYPNSE-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.32
Rot. Bonds4

About propan-2-yl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate

propan-2-yl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate (PubChem CID 110244459) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is propan-2-yl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate
PubChem CID110244459
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namepropan-2-yl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate
SMILESCC(C)OC(=O)CN1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C15H22N2O3/c1-12(2)20-14(18)11-17-8-5-15(19,6-9-17)13-4-3-7-16-10-13/h3-4,7,10,12,19H,5-6,8-9,11H2,1-2H3
InChIKeyBWGQBXTZNYPNSE-UHFFFAOYSA-N
XLogP1.32
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate (CID 110244459) is propan-2-yl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate is CC(C)OC(=O)CN1CCC(O)(c2cccnc2)CC1.
What is the InChIKey of propan-2-yl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate?
The InChIKey is BWGQBXTZNYPNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12(2)20-14(18)11-17-8-5-15(19,6-9-17)13-4-3-7-16-10-13/h3-4,7,10,12,19H,5-6,8-9,11H2,1-2H3.
What are the key properties of propan-2-yl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate?
propan-2-yl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate has a molecular weight of 278.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)acetate is sourced from PubChem (CID 110244459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).