1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenyl)acetate

C16H22ClNO2 — CID 646165

IUPAC1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenyl)acetate
SMILESCC(CN1CCCCC1)OC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO2/c1-13(12-18-9-3-2-4-10-18)20-16(19)11-14-5-7-15(17)8-6-14/h5-8,13H,2-4,9-12H2,1H3
InChIKeyUTXPRJDVJJXPDI-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.30
Rot. Bonds5

About 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenyl)acetate

1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenyl)acetate (PubChem CID 646165) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenyl)acetate
PubChem CID646165
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenyl)acetate
SMILESCC(CN1CCCCC1)OC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO2/c1-13(12-18-9-3-2-4-10-18)20-16(19)11-14-5-7-15(17)8-6-14/h5-8,13H,2-4,9-12H2,1H3
InChIKeyUTXPRJDVJJXPDI-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenyl)acetate?
The IUPAC name of 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenyl)acetate (CID 646165) is 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenyl)acetate.
What is the SMILES notation for 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenyl)acetate?
The canonical SMILES for 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenyl)acetate is CC(CN1CCCCC1)OC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenyl)acetate?
The InChIKey is UTXPRJDVJJXPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-13(12-18-9-3-2-4-10-18)20-16(19)11-14-5-7-15(17)8-6-14/h5-8,13H,2-4,9-12H2,1H3.
What are the key properties of 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenyl)acetate?
1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenyl)acetate has a molecular weight of 295.81 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 646165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).