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

C16H24ClNO2 — CID 2831829

IUPAC(1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride
SMILESCCC(=O)OC1(c2ccccc2)CCN(C)CC1C.Cl
InChIInChI=1S/C16H23NO2.ClH/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;1H
InChIKeyLFLUADVCIBEPQJ-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.23
Rot. Bonds3

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

(1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride (PubChem CID 2831829) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride.

Molecular Properties

Compound Name(1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride
PubChem CID2831829
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name(1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride
SMILESCCC(=O)OC1(c2ccccc2)CCN(C)CC1C.Cl
InChIInChI=1S/C16H23NO2.ClH/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;1H
InChIKeyLFLUADVCIBEPQJ-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride?
The IUPAC name of (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride (CID 2831829) is (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride.
What is the SMILES notation for (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride?
The canonical SMILES for (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride is CCC(=O)OC1(c2ccccc2)CCN(C)CC1C.Cl.
What is the InChIKey of (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride?
The InChIKey is LFLUADVCIBEPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2.ClH/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;1H.
What are the key properties of (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride?
(1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 3.23, 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;hydrochloride is sourced from PubChem (CID 2831829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).