[(3R)-1-propan-2-ylpiperidin-3-yl] acetate

C10H19NO2 — CID 154714491

IUPAC[(3R)-1-propan-2-ylpiperidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1CCCN(C(C)C)C1
InChIInChI=1S/C10H19NO2/c1-8(2)11-6-4-5-10(7-11)13-9(3)12/h8,10H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyAWKCAXOCICVQPB-SNVBAGLBSA-N
MW185.27 g/mol
LogP1.42
Rot. Bonds2

About [(3R)-1-propan-2-ylpiperidin-3-yl] acetate

[(3R)-1-propan-2-ylpiperidin-3-yl] acetate (PubChem CID 154714491) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is [(3R)-1-propan-2-ylpiperidin-3-yl] acetate.

Molecular Properties

Compound Name[(3R)-1-propan-2-ylpiperidin-3-yl] acetate
PubChem CID154714491
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name[(3R)-1-propan-2-ylpiperidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1CCCN(C(C)C)C1
InChIInChI=1S/C10H19NO2/c1-8(2)11-6-4-5-10(7-11)13-9(3)12/h8,10H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyAWKCAXOCICVQPB-SNVBAGLBSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-propan-2-ylpiperidin-3-yl] acetate?
The IUPAC name of [(3R)-1-propan-2-ylpiperidin-3-yl] acetate (CID 154714491) is [(3R)-1-propan-2-ylpiperidin-3-yl] acetate.
What is the SMILES notation for [(3R)-1-propan-2-ylpiperidin-3-yl] acetate?
The canonical SMILES for [(3R)-1-propan-2-ylpiperidin-3-yl] acetate is CC(=O)O[C@@H]1CCCN(C(C)C)C1.
What is the InChIKey of [(3R)-1-propan-2-ylpiperidin-3-yl] acetate?
The InChIKey is AWKCAXOCICVQPB-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)11-6-4-5-10(7-11)13-9(3)12/h8,10H,4-7H2,1-3H3/t10-/m1/s1.
What are the key properties of [(3R)-1-propan-2-ylpiperidin-3-yl] acetate?
[(3R)-1-propan-2-ylpiperidin-3-yl] acetate has a molecular weight of 185.27 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-propan-2-ylpiperidin-3-yl] acetate is sourced from PubChem (CID 154714491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).