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

C17H25NO2 — CID 21120815

IUPAC(1,3,3-trimethyl-4-phenylpiperidin-4-yl) propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(C)CC1(C)C
InChIInChI=1S/C17H25NO2/c1-5-15(19)20-17(14-9-7-6-8-10-14)11-12-18(4)13-16(17,2)3/h6-10H,5,11-13H2,1-4H3
InChIKeyPFZSYLCEKSFNST-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.20
Rot. Bonds3

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

(1,3,3-trimethyl-4-phenylpiperidin-4-yl) propanoate (PubChem CID 21120815) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (1,3,3-trimethyl-4-phenylpiperidin-4-yl) propanoate.

Molecular Properties

Compound Name(1,3,3-trimethyl-4-phenylpiperidin-4-yl) propanoate
PubChem CID21120815
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(1,3,3-trimethyl-4-phenylpiperidin-4-yl) propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(C)CC1(C)C
InChIInChI=1S/C17H25NO2/c1-5-15(19)20-17(14-9-7-6-8-10-14)11-12-18(4)13-16(17,2)3/h6-10H,5,11-13H2,1-4H3
InChIKeyPFZSYLCEKSFNST-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,3,3-trimethyl-4-phenylpiperidin-4-yl) propanoate?
The IUPAC name of (1,3,3-trimethyl-4-phenylpiperidin-4-yl) propanoate (CID 21120815) is (1,3,3-trimethyl-4-phenylpiperidin-4-yl) propanoate.
What is the SMILES notation for (1,3,3-trimethyl-4-phenylpiperidin-4-yl) propanoate?
The canonical SMILES for (1,3,3-trimethyl-4-phenylpiperidin-4-yl) propanoate is CCC(=O)OC1(c2ccccc2)CCN(C)CC1(C)C.
What is the InChIKey of (1,3,3-trimethyl-4-phenylpiperidin-4-yl) propanoate?
The InChIKey is PFZSYLCEKSFNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-15(19)20-17(14-9-7-6-8-10-14)11-12-18(4)13-16(17,2)3/h6-10H,5,11-13H2,1-4H3.
What are the key properties of (1,3,3-trimethyl-4-phenylpiperidin-4-yl) propanoate?
(1,3,3-trimethyl-4-phenylpiperidin-4-yl) propanoate has a molecular weight of 275.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,3-trimethyl-4-phenylpiperidin-4-yl) propanoate is sourced from PubChem (CID 21120815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).