piperidin-3-ylmethyl 2-phenylbenzoate

C19H21NO2 — CID 57390894

IUPACpiperidin-3-ylmethyl 2-phenylbenzoate
SMILESO=C(OCC1CCCNC1)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H21NO2/c21-19(22-14-15-7-6-12-20-13-15)18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-5,8-11,15,20H,6-7,12-14H2
InChIKeyUEUFLTPFECVUGW-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.51
Rot. Bonds4

About piperidin-3-ylmethyl 2-phenylbenzoate

piperidin-3-ylmethyl 2-phenylbenzoate (PubChem CID 57390894) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is piperidin-3-ylmethyl 2-phenylbenzoate.

Molecular Properties

Compound Namepiperidin-3-ylmethyl 2-phenylbenzoate
PubChem CID57390894
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namepiperidin-3-ylmethyl 2-phenylbenzoate
SMILESO=C(OCC1CCCNC1)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H21NO2/c21-19(22-14-15-7-6-12-20-13-15)18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-5,8-11,15,20H,6-7,12-14H2
InChIKeyUEUFLTPFECVUGW-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-3-ylmethyl 2-phenylbenzoate?
The IUPAC name of piperidin-3-ylmethyl 2-phenylbenzoate (CID 57390894) is piperidin-3-ylmethyl 2-phenylbenzoate.
What is the SMILES notation for piperidin-3-ylmethyl 2-phenylbenzoate?
The canonical SMILES for piperidin-3-ylmethyl 2-phenylbenzoate is O=C(OCC1CCCNC1)c1ccccc1-c1ccccc1.
What is the InChIKey of piperidin-3-ylmethyl 2-phenylbenzoate?
The InChIKey is UEUFLTPFECVUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19(22-14-15-7-6-12-20-13-15)18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-5,8-11,15,20H,6-7,12-14H2.
What are the key properties of piperidin-3-ylmethyl 2-phenylbenzoate?
piperidin-3-ylmethyl 2-phenylbenzoate has a molecular weight of 295.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-ylmethyl 2-phenylbenzoate is sourced from PubChem (CID 57390894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).