piperidin-1-yl benzoate

C12H15NO2 — CID 11275749

IUPACpiperidin-1-yl benzoate
SMILESO=C(ON1CCCCC1)c1ccccc1
InChIInChI=1S/C12H15NO2/c14-12(11-7-3-1-4-8-11)15-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyXXZBTNPVRWWWPI-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.24
Rot. Bonds2

About piperidin-1-yl benzoate

piperidin-1-yl benzoate (PubChem CID 11275749) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is piperidin-1-yl benzoate.

Molecular Properties

Compound Namepiperidin-1-yl benzoate
PubChem CID11275749
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namepiperidin-1-yl benzoate
SMILESO=C(ON1CCCCC1)c1ccccc1
InChIInChI=1S/C12H15NO2/c14-12(11-7-3-1-4-8-11)15-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyXXZBTNPVRWWWPI-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl benzoate?
The IUPAC name of piperidin-1-yl benzoate (CID 11275749) is piperidin-1-yl benzoate.
What is the SMILES notation for piperidin-1-yl benzoate?
The canonical SMILES for piperidin-1-yl benzoate is O=C(ON1CCCCC1)c1ccccc1.
What is the InChIKey of piperidin-1-yl benzoate?
The InChIKey is XXZBTNPVRWWWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(11-7-3-1-4-8-11)15-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2.
What are the key properties of piperidin-1-yl benzoate?
piperidin-1-yl benzoate has a molecular weight of 205.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl benzoate is sourced from PubChem (CID 11275749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).