(1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate

C16H23NO2 — CID 6471

IUPAC(1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(C)CC1C
InChIInChI=1S/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3
InChIKeyUVAZQQHAVMNMHE-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.81
Rot. Bonds3

About (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate

(1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate (PubChem CID 6471) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate.

Molecular Properties

Compound Name(1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate
PubChem CID6471
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(C)CC1C
InChIInChI=1S/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3
InChIKeyUVAZQQHAVMNMHE-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate?
The IUPAC name of (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate (CID 6471) is (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate.
What is the SMILES notation for (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate?
The canonical SMILES for (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate is CCC(=O)OC1(c2ccccc2)CCN(C)CC1C.
What is the InChIKey of (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate?
The InChIKey is UVAZQQHAVMNMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3.
What are the key properties of (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate?
(1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate has a molecular weight of 261.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate is sourced from PubChem (CID 6471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).