(2-phenylpiperidin-2-yl) butanoate

C15H21NO2 — CID 67534938

IUPAC(2-phenylpiperidin-2-yl) butanoate
SMILESCCCC(=O)OC1(c2ccccc2)CCCCN1
InChIInChI=1S/C15H21NO2/c1-2-8-14(17)18-15(11-6-7-12-16-15)13-9-4-3-5-10-13/h3-5,9-10,16H,2,6-8,11-12H2,1H3
InChIKeyYVXGJCHJRSMLIV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.96
Rot. Bonds4

About (2-phenylpiperidin-2-yl) butanoate

(2-phenylpiperidin-2-yl) butanoate (PubChem CID 67534938) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2-phenylpiperidin-2-yl) butanoate.

Molecular Properties

Compound Name(2-phenylpiperidin-2-yl) butanoate
PubChem CID67534938
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2-phenylpiperidin-2-yl) butanoate
SMILESCCCC(=O)OC1(c2ccccc2)CCCCN1
InChIInChI=1S/C15H21NO2/c1-2-8-14(17)18-15(11-6-7-12-16-15)13-9-4-3-5-10-13/h3-5,9-10,16H,2,6-8,11-12H2,1H3
InChIKeyYVXGJCHJRSMLIV-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-phenylpiperidin-2-yl) butanoate?
The IUPAC name of (2-phenylpiperidin-2-yl) butanoate (CID 67534938) is (2-phenylpiperidin-2-yl) butanoate.
What is the SMILES notation for (2-phenylpiperidin-2-yl) butanoate?
The canonical SMILES for (2-phenylpiperidin-2-yl) butanoate is CCCC(=O)OC1(c2ccccc2)CCCCN1.
What is the InChIKey of (2-phenylpiperidin-2-yl) butanoate?
The InChIKey is YVXGJCHJRSMLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-8-14(17)18-15(11-6-7-12-16-15)13-9-4-3-5-10-13/h3-5,9-10,16H,2,6-8,11-12H2,1H3.
What are the key properties of (2-phenylpiperidin-2-yl) butanoate?
(2-phenylpiperidin-2-yl) butanoate has a molecular weight of 247.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylpiperidin-2-yl) butanoate is sourced from PubChem (CID 67534938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).